A0A087X2S4_POEFO Loading...

HAUS augmin-like complex subunit 6 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X2S4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 780 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V33.6Very low59.2Low198 Ų198116.3 Ų116.3100%1.264%0.642SS**  01180-179.10000108.3
2M38.2Very low61.4Low195 Ų195109.8 Ų109.896%0.96161%0.606SS**  trans-89.1115.5175.6-70.6-175178.100109.5N4M2-N4 PolarHBondContact O-N 3.16Å
3A43.4Very low63.3Low96 Ų96101.8 Ų101.879%0.79356%0.563SS**  trans-80.5113.4172.300000109.5
4N49.9Very low65Low157 Ų15799.8 Ų99.884%0.8455%0.548SS*.PPolyproline II helixtrans-63.7131.3171.2-110-25.6000109.4M2 N6M2-N4 PolarHBondContact O-N 3.16Å; N4-N6 PolarHBondContact O-N 3.06Å
5P52.7Low66.7Low65 Ų65102.2 Ų102.242%0.42255%0.547SS..PPolyproline II helixtrans-64.7127.9175.626.8-33000109.5
6N64Low68.2Low93 Ų9395.9 Ų95.950%0.49751%0.513SS..PPolyproline II helixtrans-54.4134.1-179.2178.6-41.9000110N4 M8 Q9 K10N4-N6 PolarHBondContact O-N 3.06Å; N6-M8 PolarHBondContact O-N 3.1Å; N6-M8 PolarHBondContact OD1-N 3.13Å; N6-Q9 WeakPolarHBondContact O-CA 3.25Å; N6-Q9 VanDerWaalsContact O-CB 3.29Å; N6-Q9 WeakPolarHBondContact O-CB 3.28Å; N6-Q9 PolarHBondContact O-N 3.36Å; N6-K10 PolarHBondContact O-N 2.99Å
7P66.7Low69.5Low96 Ų9692.3 Ų92.362%0.62349%0.491SS*.Hα-helixtrans-55.8-27.6-176.220.5-33.3000114.2K10 K11P7-K10 PolarHBondContact O-N 3.16Å; P7-K11 PolarHBondContact O-N 3.11Å
8M68.4Low70.7Confident128 Ų12894.3 Ų94.363%0.63150%0.495SS*.Hα-helixtrans-69-34.5173.3-62-158.176.300113N6 K10 K11 N12N6-M8 PolarHBondContact O-N 3.1Å; N6-M8 PolarHBondContact OD1-N 3.13Å; M8-K10 VanDerWaalsContact C-N 3.32Å; M8-K10 PolarHBondContact O-N 3.34Å; M8-K11 PolarHBondContact O-N 2.8Å; M8-N12 PolarHBondContact O-N 2.98Å; M8-N12 PolarHBondContact O-OD1 3.21Å
9Q73.9Confident71.7Confident19 Ų1989.7 Ų89.79%0.08947%0.472CS..Hα-helixtrans-62.9-40.6174.6-177.1-179.9-24.600111.2N6 N12 G13 N41 P116N6-Q9 WeakPolarHBondContact O-CA 3.25Å; N6-Q9 VanDerWaalsContact O-CB 3.29Å; N6-Q9 WeakPolarHBondContact O-CB 3.28Å; N6-Q9 PolarHBondContact O-N 3.36Å; Q9-N12 PolarHBondContact O-N 2.94Å; Q9-G13 PolarHBondContact O-N 3.18Å; Q9-N41 PolarHBondContact NE2-OD1 3.34Å; Q9-P116 HydrophobicContact CB-CB 4.21Å; Q9-P116 HydrophobicContact CG-CB 4.15Å
10K76.8Confident72.6Confident114 Ų11485.3 Ų85.350%0.49645%0.448SS..Hα-helixtrans-63.2-42.5176.9-170.6177.4179.4-178.20111.6N6 P7 M8 G13 Q14N6-K10 PolarHBondContact O-N 2.99Å; P7-K10 PolarHBondContact O-N 3.16Å; M8-K10 VanDerWaalsContact C-N 3.32Å; M8-K10 PolarHBondContact O-N 3.34Å; K10-G13 PolarHBondContact O-N 2.97Å; K10-Q14 WeakPolarHBondContact O-CG 3.5Å; K10-Q14 PolarHBondContact O-N 3.11Å; K10-Q14 VanDerWaalsContact O-N 3.1Å
11K83.5Confident73.4Confident118 Ų11884.8 Ų84.851%0.51345%0.446SS..Hα-helixtrans-63.1-48.2173.9-69.9-174.5177.5-171.70112P7 M8 G13 Q14 Y15P7-K11 PolarHBondContact O-N 3.11Å; M8-K11 PolarHBondContact O-N 2.8Å; K11-G13 VanDerWaalsContact C-N 3.29Å; K11-G13 PolarHBondContact O-N 3.15Å; K11-Q14 WeakPolarHBondContact O-CB 3.13Å; K11-Q14 PolarHBondContact O-N 3.01Å; K11-Q14 VanDerWaalsContact O-N 3.1Å; K11-Y15 HydrophobicContact CB-CD2 4.44Å; K11-Y15 HydrophobicContact CB-CE2 4.05Å; K11-Y15 WeakPolarHBondContact O-CD2 3.33Å; K11-Y15 PolarHBondContact O-N 3.34Å
12N85.5Confident75.8Confident39 Ų3978.1 Ų78.121%0.20942%0.418CS..Hα-helixtrans-65.1-32.9-179.7-66.815.6000112.2M8 Q9 Y15 L16 V119 L123M8-N12 PolarHBondContact O-N 2.98Å; M8-N12 PolarHBondContact O-OD1 3.21Å; Q9-N12 PolarHBondContact O-N 2.94Å; N12-Y15 PolarHBondContact O-N 2.78Å; N12-L16 VanDerWaalsContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CB 3.44Å; N12-L16 PolarHBondContact O-N 3.35Å; N12-V119 HydrophobicContact CB-CG1 3.74Å; N12-L123 HydrophobicContact CB-CD2 4.04Å
13G86.1Confident78.2Confident5 Ų569.2 Ų69.25%0.05237%0.374CS..Hα-helixtrans-66.3-37.6171.500000113.3Q9 K10 K11 W17 P37Q9-G13 PolarHBondContact O-N 3.18Å; K10-G13 PolarHBondContact O-N 2.97Å; K11-G13 VanDerWaalsContact C-N 3.29Å; K11-G13 PolarHBondContact O-N 3.15Å; G13-W17 WeakPolarHBondContact O-CB 3.46Å; G13-W17 PolarHBondContact O-N 3.33Å; G13-P37 CarbonylContact C-O 3.51Å; G13-P37 WeakPolarHBondContact CA-O 3.44Å
14Q87.8Confident80.2Confident74 Ų7466.9 Ų66.935%0.34636%0.359SS..Hα-helixtrans-65.8-47.1171.6-71.5170.8-48.800111.8K10 K11 L16 W17 F18 P37K10-Q14 WeakPolarHBondContact O-CG 3.5Å; K10-Q14 PolarHBondContact O-N 3.11Å; K10-Q14 VanDerWaalsContact O-N 3.1Å; K11-Q14 WeakPolarHBondContact O-CB 3.13Å; K11-Q14 PolarHBondContact O-N 3.01Å; K11-Q14 VanDerWaalsContact O-N 3.1Å; Q14-L16 PolarHBondContact O-N 3.2Å; Q14-W17 WeakPolarHBondContact O-CB 3.42Å; Q14-W17 PolarHBondContact O-N 2.71Å; Q14-F18 HydrophobicContact CB-CE2 4.14Å; Q14-F18 WeakPolarHBondContact O-CD2 3.32Å; Q14-F18 WeakPolarHBondContact O-CG 3.45Å; Q14-F18 PolarHBondContact O-N 3Å; Q14-P37 HydrophobicContact CG-CB 3.9Å
15Y89.9Confident82Confident136 Ų13660.2 Ų60.253%0.53332%0.322SS..Hα-helixtrans-62.8-39.8177.2-65.5-53.1000112.6K11 N12 W17 F18 A19K11-Y15 HydrophobicContact CB-CD2 4.44Å; K11-Y15 HydrophobicContact CB-CE2 4.05Å; K11-Y15 WeakPolarHBondContact O-CD2 3.33Å; K11-Y15 PolarHBondContact O-N 3.34Å; N12-Y15 PolarHBondContact O-N 2.78Å; Y15-W17 VanDerWaalsContact C-N 3.33Å; Y15-W17 PolarHBondContact O-N 2.68Å; Y15-F18 PolarHBondContact O-N 3.19Å; Y15-A19 WeakPolarHBondContact O-CB 3.49Å; Y15-A19 PolarHBondContact O-N 3.45Å
16L90.4Very high83.3Confident1 Ų165 Ų651%0.00534%0.339CS..Hα-helixtrans-61.6-41.7173.817357.2000111.4N12 Q14 A19 L20 M39 F40 M122 L123 A126N12-L16 VanDerWaalsContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CB 3.44Å; N12-L16 PolarHBondContact O-N 3.35Å; Q14-L16 PolarHBondContact O-N 3.2Å; L16-A19 PolarHBondContact O-N 2.98Å; L16-L20 HydrophobicContact CD1-CD1 3.97Å; L16-L20 HydrophobicContact CD1-CG 4.22Å; L16-L20 HydrophobicContact CG-CD1 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.19Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 2.72Å; L16-M39 HydrophobicContact CD2-CE 4.33Å; L16-M39 HydrophobicContact CG-CE 4.24Å; L16-F40 HydrophobicContact CD2-CD2 3.96Å; L16-F40 HydrophobicContact CD2-CE2 4.08Å; L16-M122 HydrophobicContact CD1-CB 4.1Å; L16-M122 HydrophobicContact CD2-CB 3.75Å; L16-L123 HydrophobicContact CB-CB 4.38Å; L16-L123 HydrophobicContact CB-CD1 4.37Å; L16-A126 HydrophobicContact CD1-CB 4.01Å
17W91.1Very high83.7Confident35 Ų3563.7 Ų63.713%0.13334%0.336CS..Hα-helixtrans-64.4-45.1176.2-177.3-110.7000112.6G13 Q14 Y15 L20 L21 F25 P27 L35 G36 P37 M39G13-W17 WeakPolarHBondContact O-CB 3.46Å; G13-W17 PolarHBondContact O-N 3.33Å; Q14-W17 WeakPolarHBondContact O-CB 3.42Å; Q14-W17 PolarHBondContact O-N 2.71Å; Y15-W17 VanDerWaalsContact C-N 3.33Å; Y15-W17 PolarHBondContact O-N 2.68Å; W17-L20 PolarHBondContact O-N 2.91Å; W17-L21 HydrophobicContact CZ2-CD1 4.32Å; W17-L21 HydrophobicContact CZ2-CD2 4.08Å; W17-L21 HydrophobicContact CZ2-CG 4.34Å; W17-L21 WeakPolarHBondContact O-CG 3.5Å; W17-L21 PolarHBondContact O-N 2.67Å; W17-F25 HydrophobicContact CZ3-CD1 4.16Å; W17-F25 HydrophobicContact CZ3-CE1 4.07Å; W17-P27 HydrophobicContact CH2-CB 4.01Å; W17-P27 HydrophobicContact CH2-CG 4.05Å; W17-P27 HydrophobicContact CZ2-CG 4.5Å; W17-L35 HydrophobicContact CZ3-CB 4.43Å; W17-G36 VanDerWaalsContact CE3-CA 3.48Å; W17-P37 HydrophobicContact CB-CB 4.4Å; W17-P37 HydrophobicContact CB-CG 4.09Å; W17-P37 HydrophobicContact CG-CG 3.8Å; W17-M39 HydrophobicContact CE3-CE 3.93Å; W17-M39 HydrophobicContact CE3-SD 4.41Å
18F90Very high83.8Confident128 Ų12864 Ų6456%0.56134%0.336SS*.Hα-helixtrans-65.6-38.9176.6-62.2-45.4000112.6Q14 Y15 L20 L21 G22Q14-F18 HydrophobicContact CB-CE2 4.14Å; Q14-F18 WeakPolarHBondContact O-CD2 3.32Å; Q14-F18 WeakPolarHBondContact O-CG 3.45Å; Q14-F18 PolarHBondContact O-N 3Å; Y15-F18 PolarHBondContact O-N 3.19Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 2.86Å; F18-L21 PolarHBondContact O-N 3.04Å; F18-G22 PolarHBondContact O-N 2.88Å
19A89.6Confident83.2Confident8 Ų865.2 Ų65.27%0.06635%0.345CS..Hα-helixtrans-62.3-40.9174.900000112.2Y15 L16 G22 L23 A126 M130Y15-A19 WeakPolarHBondContact O-CB 3.49Å; Y15-A19 PolarHBondContact O-N 3.45Å; L16-A19 PolarHBondContact O-N 2.98Å; A19-G22 PolarHBondContact O-N 2.87Å; A19-L23 WeakPolarHBondContact O-CG 3.43Å; A19-L23 PolarHBondContact O-N 3.04Å; A19-L23 VanDerWaalsContact O-N 3.1Å; A19-A126 HydrophobicContact CB-CB 3.88Å; A19-M130 HydrophobicContact CB-SD 3.61Å
20L90.6Very high82.7Confident0 Ų068.7 Ų68.70%036%0.363CS..Hα-helixtrans-65.4-47175.6-73.6166.7000112.2L16 W17 F18 G22 L23 G24 F25 M39 V51 F54 L55L16-L20 HydrophobicContact CD1-CD1 3.97Å; L16-L20 HydrophobicContact CD1-CG 4.22Å; L16-L20 HydrophobicContact CG-CD1 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.19Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 2.72Å; W17-L20 PolarHBondContact O-N 2.91Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 2.86Å; L20-G22 VanDerWaalsContact C-N 3.31Å; L20-G22 PolarHBondContact O-N 2.74Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-G24 PolarHBondContact O-N 2.98Å; L20-F25 HydrophobicContact CB-CB 3.84Å; L20-F25 HydrophobicContact CB-CD1 4.4Å; L20-F25 HydrophobicContact CB-CG 4.22Å; L20-F25 WeakPolarHBondContact O-CB 3.41Å; L20-F25 PolarHBondContact O-N 3.32Å; L20-M39 HydrophobicContact CD1-CE 3.67Å; L20-V51 HydrophobicContact CD1-CG1 3.76Å; L20-V51 HydrophobicContact CD1-CG2 4.01Å; L20-V51 HydrophobicContact CD2-CG1 3.83Å; L20-V51 HydrophobicContact CG-CG1 4.41Å; L20-F54 HydrophobicContact CD2-CD1 3.75Å; L20-F54 HydrophobicContact CD2-CE1 3.88Å; L20-L55 HydrophobicContact CD2-CD1 4.06Å; L20-L55 HydrophobicContact CD2-CD2 3.74Å; L20-L55 HydrophobicContact CD2-CG 3.85Å
21L88.8Confident81.6Confident75 Ų7572.4 Ų72.439%0.39338%0.379SS..Hα-helixtrans-60.4-41.5175.5-69.8179.6000111.6W17 F18 L23 G24W17-L21 HydrophobicContact CZ2-CD1 4.32Å; W17-L21 HydrophobicContact CZ2-CD2 4.08Å; W17-L21 HydrophobicContact CZ2-CG 4.34Å; W17-L21 WeakPolarHBondContact O-CG 3.5Å; W17-L21 PolarHBondContact O-N 2.67Å; F18-L21 PolarHBondContact O-N 3.04Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 2.63Å; L21-G24 WeakPolarHBondContact O-CA 3.4Å; L21-G24 PolarHBondContact O-N 3.05Å
22G85.3Confident80.4Confident59 Ų5974.8 Ų74.861%0.60839%0.392SS*.Hα-helixtrans-63.2-30.1176.800000114.2F18 A19 L20 G24F18-G22 PolarHBondContact O-N 2.88Å; A19-G22 PolarHBondContact O-N 2.87Å; L20-G22 VanDerWaalsContact C-N 3.31Å; L20-G22 PolarHBondContact O-N 2.74Å; G22-G24 VanDerWaalsContact C-N 3.26Å; G22-G24 PolarHBondContact O-N 2.89Å
23L87.4Confident79.7Confident7 Ų775.1 Ų75.14%0.03739%0.393CS..THydrogen-bonded Turntrans-79.9-3.6172-72.7169.7000113.8A19 L20 L21 F54 L55 K58 V129 M130 D133A19-L23 WeakPolarHBondContact O-CG 3.43Å; A19-L23 PolarHBondContact O-N 3.04Å; A19-L23 VanDerWaalsContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 2.93Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 2.63Å; L23-F54 HydrophobicContact CB-CE1 3.76Å; L23-F54 HydrophobicContact CB-CZ 3.73Å; L23-F54 HydrophobicContact CD1-CE1 4.36Å; L23-F54 WeakPolarHBondContact O-CZ 3.41Å; L23-L55 HydrophobicContact CD1-CD2 3.49Å; L23-L55 VanDerWaalsContact CD1-CD2 3.49Å; L23-K58 WeakPolarHBondContact O-CE 3.43Å; L23-K58 PolarHBondContact O-NZ 3.39Å; L23-V129 HydrophobicContact CD1-CB 4.07Å; L23-V129 HydrophobicContact CD1-CG1 3.87Å; L23-V129 HydrophobicContact CD2-CG1 3.97Å; L23-M130 HydrophobicContact CD1-CG 3.91Å; L23-M130 HydrophobicContact CD2-CB 4.45Å; L23-M130 HydrophobicContact CD2-CG 3.75Å; L23-M130 HydrophobicContact CG-CG 3.68Å; L23-D133 HydrophobicContact CD2-CB 4.3Å
24G86.9Confident79Confident47 Ų4780.7 Ų80.749%0.48542%0.422SS..THydrogen-bonded Turntrans89.625-177.900000115.3L20 L21 G22 Q26L20-G24 PolarHBondContact O-N 2.98Å; L21-G24 WeakPolarHBondContact O-CA 3.4Å; L21-G24 PolarHBondContact O-N 3.05Å; G22-G24 VanDerWaalsContact C-N 3.26Å; G22-G24 PolarHBondContact O-N 2.89Å; G24-Q26 PolarHBondContact O-N 3.44Å
25F87.1Confident78.6Confident17 Ų1778.9 Ų78.98%0.07542%0.415CS..  trans-68.1113.2176.7-176.6-102.2000111.6W17 L20 P27 L35 V51 F54W17-F25 HydrophobicContact CZ3-CD1 4.16Å; W17-F25 HydrophobicContact CZ3-CE1 4.07Å; L20-F25 HydrophobicContact CB-CB 3.84Å; L20-F25 HydrophobicContact CB-CD1 4.4Å; L20-F25 HydrophobicContact CB-CG 4.22Å; L20-F25 WeakPolarHBondContact O-CB 3.41Å; L20-F25 PolarHBondContact O-N 3.32Å; F25-P27 HydrophobicContact CE1-CB 4.38Å; F25-P27 WeakPolarHBondContact O-CD 3.17Å; F25-L35 HydrophobicContact CE1-CD1 4.29Å; F25-L35 HydrophobicContact CZ-CD1 4.27Å; F25-L35 HydrophobicContact CZ-CD2 4.42Å; F25-V51 HydrophobicContact CE2-CG2 4.38Å; F25-V51 HydrophobicContact CZ-CG2 4.17Å; F25-F54 HydrophobicContact CB-CD1 4.22Å; F25-F54 HydrophobicContact CB-CE1 3.77Å; F25-F54 HydrophobicContact CB-CE2 4.15Å; F25-F54 HydrophobicContact CB-CZ 3.72Å; F25-F54 HydrophobicContact CD2-CB 3.98Å; F25-F54 AromaticContact CD2-CD1 3.76Å; F25-F54 HydrophobicContact CD2-CD1 3.76Å; F25-F54 AromaticContact CD2-CD2 3.91Å; F25-F54 HydrophobicContact CD2-CD2 3.91Å; F25-F54 HydrophobicContact CD2-CE1 4.19Å; F25-F54 HydrophobicContact CD2-CE2 4.31Å; F25-F54 AromaticContact CD2-CG 3.61Å; F25-F54 HydrophobicContact CD2-CG 3.61Å; F25-F54 HydrophobicContact CD2-CZ 4.44Å; F25-F54 HydrophobicContact CE2-CB 4.21Å; F25-F54 HydrophobicContact CE2-CG 4.33Å; F25-F54 HydrophobicContact CG-CD1 4.42Å; F25-F54 HydrophobicContact CG-CE1 4.45Å
26Q80.3Confident78.3Confident165 Ų16572.8 Ų72.877%0.77139%0.393SS*.  trans-93.3116.2175-65.4-176.4-4.500110.8G24 V28G24-Q26 PolarHBondContact O-N 3.44Å; Q26-V28 PolarHBondContact O-N 3.15Å
27P72.4Confident78Confident66 Ų6674.8 Ų74.843%0.42941%0.406SS..  trans-75.6106.5177.628.9-32.7000111.4W17 F25 N29 L35W17-P27 HydrophobicContact CH2-CB 4.01Å; W17-P27 HydrophobicContact CH2-CG 4.05Å; W17-P27 HydrophobicContact CZ2-CG 4.5Å; F25-P27 HydrophobicContact CE1-CB 4.38Å; F25-P27 WeakPolarHBondContact O-CD 3.17Å; P27-N29 PolarHBondContact O-N 3.47Å; P27-L35 HydrophobicContact CB-CB 4.38Å; P27-L35 HydrophobicContact CB-CD1 4Å
28V68.8Low77.8Confident104 Ų10477.5 Ų77.563%0.6342%0.423SS*.  trans-64.4121.6175.2-167.80000109.6Q26 I30Q26-V28 PolarHBondContact O-N 3.15Å; V28-I30 HydrophobicContact CG1-CD1 4.41Å; V28-I30 HydrophobicContact CG1-CG1 4.07Å; V28-I30 PolarHBondContact O-N 2.95Å
29N55.3Low77.6Confident153 Ų15371.9 Ų71.982%0.81840%0.399SS*.  trans-78.765.7-171.6-167.22.1000113.1P27P27-N29 PolarHBondContact O-N 3.47Å
30I62.3Low77.5Confident92 Ų9271.6 Ų71.647%0.47240%0.396SS..  trans-84.1121.5173-56.3175.5000108V28 H32 L33V28-I30 HydrophobicContact CG1-CD1 4.41Å; V28-I30 HydrophobicContact CG1-CG1 4.07Å; V28-I30 PolarHBondContact O-N 2.95Å; I30-H32 PolarHBondContact O-N 3.31Å; I30-L33 HydrophobicContact CB-CB 4.49Å; I30-L33 PolarHBondContact O-N 2.99Å
31K55Low77.2Confident191 Ų19174 Ų7483%0.8341%0.409SS*.THydrogen-bonded Turntrans-57.4-0.2-166.9-62.1-178.9179.8177.90117.3
32H57.9Low76.9Confident168 Ų16878.5 Ų78.578%0.77843%0.425SS*.THydrogen-bonded Turntrans-129.8-0179.4-55.9-53000114.2I30I30-H32 PolarHBondContact O-N 3.31Å
33L70.2Confident76.8Confident46 Ų4679.8 Ų79.824%0.24142%0.423CS..  trans-90.4116178.4-11373.7000111.9I30 L35 E46 L50I30-L33 HydrophobicContact CB-CB 4.49Å; I30-L33 PolarHBondContact O-N 2.99Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 HydrophobicContact CB-CG 4.45Å; L33-L35 HydrophobicContact CD2-CD1 4.23Å; L33-L35 HydrophobicContact CD2-CG 4.27Å; L33-L35 PolarHBondContact O-N 3.48Å; L33-E46 HydrophobicContact CD1-CB 3.85Å; L33-E46 HydrophobicContact CD1-CG 4.16Å; L33-E46 HydrophobicContact CD2-CB 4.21Å; L33-E46 HydrophobicContact CG-CB 4.11Å; L33-L50 HydrophobicContact CD2-CD1 3.44Å; L33-L50 VanDerWaalsContact CD2-CD1 3.44Å
34N71.4Confident76.8Confident122 Ų12280.7 Ų80.765%0.65243%0.428SS*.  trans-81.774.5173.6-70.1-85.8000110.4M39 N44N34-M39 WeakPolarHBondContact O-CA 3.39Å; N34-M39 WeakPolarHBondContact O-CB 3.4Å; N34-N44 PolarHBondContact O-ND2 2.88Å
35L80.9Confident76.8Confident37 Ų3782.3 Ų82.319%0.19442%0.421CS..  trans-88.2143.2169.1-65.7175.2000110.4W17 F25 P27 L33 M39 A47W17-L35 HydrophobicContact CZ3-CB 4.43Å; F25-L35 HydrophobicContact CE1-CD1 4.29Å; F25-L35 HydrophobicContact CZ-CD1 4.27Å; F25-L35 HydrophobicContact CZ-CD2 4.42Å; P27-L35 HydrophobicContact CB-CB 4.38Å; P27-L35 HydrophobicContact CB-CD1 4Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 HydrophobicContact CB-CG 4.45Å; L33-L35 HydrophobicContact CD2-CD1 4.23Å; L33-L35 HydrophobicContact CD2-CG 4.27Å; L33-L35 PolarHBondContact O-N 3.48Å; L35-M39 HydrophobicContact CD2-SD 4.23Å; L35-A47 HydrophobicContact CD2-CB 3.79Å
36G83.4Confident76.6Confident7 Ų786.1 Ų86.17%0.07244%0.439CS..SBendtrans137.6-175-178.800000114.1W17 N38 M39W17-G36 VanDerWaalsContact CE3-CA 3.48Å; G36-N38 PolarHBondContact O-N 3.41Å; G36-M39 VanDerWaalsContact O-CB 3.31Å; G36-M39 WeakPolarHBondContact O-CB 3.45Å; G36-M39 WeakPolarHBondContact O-CG 3.4Å; G36-M39 PolarHBondContact O-N 3.37Å
37P84.5Confident77Confident44 Ų4478.2 Ų78.229%0.28640%0.403SS..THydrogen-bonded Turntrans-55.8-18.1-175.4-28.535.2000116.8G13 Q14 W17G13-P37 CarbonylContact C-O 3.51Å; G13-P37 WeakPolarHBondContact CA-O 3.44Å; Q14-P37 HydrophobicContact CG-CB 3.9Å; W17-P37 HydrophobicContact CB-CB 4.4Å; W17-P37 HydrophobicContact CB-CG 4.09Å; W17-P37 HydrophobicContact CG-CG 3.8Å
38N85Confident77.8Confident91 Ų9175.1 Ų75.149%0.48738%0.382SS..THydrogen-bonded Turntrans-110.25.4-177.7-64.1-57.5000113.3G36 F40 N41G36-N38 PolarHBondContact O-N 3.41Å; N38-F40 PolarHBondContact O-N 2.9Å; N38-N41 WeakPolarHBondContact CB-ND2 3.13Å; N38-N41 WeakPolarHBondContact O-CB 3.46Å; N38-N41 PolarHBondContact O-N 3.23Å; N38-N41 PolarHBondContact OD1-ND2 3.42Å
39M86.1Confident78.8Confident10 Ų1070.8 Ų70.85%0.04936%0.355CS..THydrogen-bonded Turntrans-57.7-24.5-167.161.8-167.8153.900115.7L16 W17 L20 N34 L35 G36 N44 A47 V51L16-M39 HydrophobicContact CD2-CE 4.33Å; L16-M39 HydrophobicContact CG-CE 4.24Å; W17-M39 HydrophobicContact CE3-CE 3.93Å; W17-M39 HydrophobicContact CE3-SD 4.41Å; L20-M39 HydrophobicContact CD1-CE 3.67Å; N34-M39 WeakPolarHBondContact O-CA 3.39Å; N34-M39 WeakPolarHBondContact O-CB 3.4Å; L35-M39 HydrophobicContact CD2-SD 4.23Å; G36-M39 VanDerWaalsContact O-CB 3.31Å; G36-M39 WeakPolarHBondContact O-CB 3.45Å; G36-M39 WeakPolarHBondContact O-CG 3.4Å; G36-M39 PolarHBondContact O-N 3.37Å; M39-N44 WeakPolarHBondContact O-CB 3.47Å; M39-N44 PolarHBondContact O-ND2 3.26Å; M39-A47 HydrophobicContact CB-CB 4.4Å; M39-V51 HydrophobicContact SD-CG2 4.34Å
40F88.4Confident80.4Confident3 Ų366.2 Ų66.21%0.01333%0.33CS..THydrogen-bonded Turntrans-111.613.7178.9-62.5-55.3000113.8L16 N38 K42 N44 A47 F48 V51 G114 G115 F118 V119L16-F40 HydrophobicContact CD2-CD2 3.96Å; L16-F40 HydrophobicContact CD2-CE2 4.08Å; N38-F40 PolarHBondContact O-N 2.9Å; F40-K42 CarbonylContact C-O 3.58Å; F40-K42 PolarHBondContact O-N 2.95Å; F40-N44 HydrophobicContact CD1-CB 4.23Å; F40-N44 HydrophobicContact CE1-CB 4.44Å; F40-A47 HydrophobicContact CE1-CB 3.76Å; F40-A47 HydrophobicContact CZ-CB 3.91Å; F40-F48 HydrophobicContact CE1-CB 4.09Å; F40-V51 HydrophobicContact CZ-CG2 4.48Å; F40-G114 CarbonylContact O-C 3.34Å; F40-G114 WeakPolarHBondContact O-CA 3.47Å; F40-G115 PolarHBondContact O-N 3.2Å; F40-F118 HydrophobicContact CB-CD1 4.26Å; F40-F118 HydrophobicContact CD1-CD1 4.05Å; F40-F118 AromaticContact CD1-CE1 3.56Å; F40-F118 HydrophobicContact CD1-CE1 3.56Å; F40-F118 HydrophobicContact CD2-CD1 4.35Å; F40-F118 AromaticContact CD2-CE1 3.99Å; F40-F118 HydrophobicContact CD2-CE1 3.99Å; F40-F118 AromaticContact CE1-CE1 3.62Å; F40-F118 HydrophobicContact CE1-CE1 3.62Å; F40-F118 HydrophobicContact CE1-CZ 4.31Å; F40-F118 HydrophobicContact CE2-CE1 4.04Å; F40-F118 AromaticContact CG-CD1 3.97Å; F40-F118 HydrophobicContact CG-CD1 3.97Å; F40-F118 AromaticContact CG-CE1 3.77Å; F40-F118 HydrophobicContact CG-CE1 3.77Å; F40-F118 AromaticContact CZ-CE1 3.87Å; F40-F118 HydrophobicContact CZ-CE1 3.87Å; F40-V119 HydrophobicContact CB-CG2 3.64Å
41N84Confident81.8Confident51 Ų5161.9 Ų61.927%0.27331%0.308SS..SBendtrans-70.3-23.1171.8-72.9-14.4000112.6Q9 N38Q9-N41 PolarHBondContact NE2-OD1 3.34Å; N38-N41 WeakPolarHBondContact CB-ND2 3.13Å; N38-N41 WeakPolarHBondContact O-CB 3.46Å; N38-N41 PolarHBondContact O-N 3.23Å; N38-N41 PolarHBondContact OD1-ND2 3.42Å
42K81.9Confident83.5Confident169 Ų16952.8 Ų52.874%0.73527%0.268SS*.SBendtrans-118.1156.5163-66178-180177.80107.9F40 N44F40-K42 CarbonylContact C-O 3.58Å; F40-K42 PolarHBondContact O-N 2.95Å; K42-N44 PolarHBondContact O-N 3.47Å
43P84.1Confident85Confident86 Ų8648.8 Ų48.856%0.55825%0.246SC*.  trans-58.9127175.1-23.835.2000111.3S112 P113P43-S112 WeakPolarHBondContact CB-OG 3.4Å; P43-S112 VanDerWaalsContact CG-OG 3.23Å; P43-S112 WeakPolarHBondContact CG-OG 3.34Å; P43-P113 WeakPolarHBondContact CA-O 3.37Å
44N86.9Confident86.1Confident25 Ų2548.2 Ų48.213%0.13424%0.242CC..  trans-14194.5-171.6-173-11.1000110.3N34 M39 F40 K42 A47 F48 P113N34-N44 PolarHBondContact O-ND2 2.88Å; M39-N44 WeakPolarHBondContact O-CB 3.47Å; M39-N44 PolarHBondContact O-ND2 3.26Å; F40-N44 HydrophobicContact CD1-CB 4.23Å; F40-N44 HydrophobicContact CE1-CB 4.44Å; K42-N44 PolarHBondContact O-N 3.47Å; N44-A47 HydrophobicContact CB-CB 4.22Å; N44-A47 VanDerWaalsContact CG-CB 3.41Å; N44-A47 VanDerWaalsContact ND2-CB 3.32Å; N44-A47 WeakPolarHBondContact ND2-CB 3.34Å; N44-A47 WeakPolarHBondContact OD1-CB 3.47Å; N44-A47 PolarHBondContact OD1-N 3.35Å; N44-A47 VanDerWaalsContact OD1-N 3.17Å; N44-F48 PolarHBondContact O-N 2.96Å; N44-F48 VanDerWaalsContact O-N 3.16Å; N44-P113 PolarHBondContact N-O 3.43Å
45K86.7Confident87.1Confident81 Ų8142.4 Ų42.435%0.35221%0.211SC..Hα-helixtrans-64.8-47-176.7-74.2-169.3168.5-1580112.2A47 F48 Y49 D80 P113K45-A47 PolarHBondContact O-N 3.04Å; K45-F48 WeakPolarHBondContact O-CA 3.17Å; K45-F48 WeakPolarHBondContact O-CB 3.49Å; K45-F48 PolarHBondContact O-N 2.92Å; K45-Y49 HydrophobicContact CB-CD2 4.41Å; K45-Y49 HydrophobicContact CB-CE2 3.74Å; K45-Y49 WeakPolarHBondContact O-CD2 3.31Å; K45-Y49 PolarHBondContact O-N 3.42Å; K45-D80 IonicContact NZ-OD2 2.98Å; K45-D80 PolarHBondContact NZ-OD2 3.06Å; K45-P113 HydrophobicContact CG-CG 4.14Å
46E83.9Confident87.7Confident97 Ų9740.6 Ų40.645%0.45320%0.202SC..Hα-helixtrans-62.1-44.6-177.6-51.2-43.1115.500112.4L33 F48 Y49 L50L33-E46 HydrophobicContact CD1-CB 3.85Å; L33-E46 HydrophobicContact CD1-CG 4.16Å; L33-E46 HydrophobicContact CD2-CB 4.21Å; L33-E46 HydrophobicContact CG-CB 4.11Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 3.26Å; E46-Y49 PolarHBondContact O-N 2.98Å; E46-L50 WeakPolarHBondContact O-CG 3.33Å; E46-L50 PolarHBondContact O-N 2.65Å
47A87.1Confident88.1Confident0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-64.2-35.6174.200000112.1L35 M39 F40 N44 K45 V51L35-A47 HydrophobicContact CD2-CB 3.79Å; M39-A47 HydrophobicContact CB-CB 4.4Å; F40-A47 HydrophobicContact CE1-CB 3.76Å; F40-A47 HydrophobicContact CZ-CB 3.91Å; N44-A47 HydrophobicContact CB-CB 4.22Å; N44-A47 VanDerWaalsContact CG-CB 3.41Å; N44-A47 VanDerWaalsContact ND2-CB 3.32Å; N44-A47 WeakPolarHBondContact ND2-CB 3.34Å; N44-A47 WeakPolarHBondContact OD1-CB 3.47Å; N44-A47 PolarHBondContact OD1-N 3.35Å; N44-A47 VanDerWaalsContact OD1-N 3.17Å; K45-A47 PolarHBondContact O-N 3.04Å; A47-V51 WeakPolarHBondContact O-CB 3.47Å; A47-V51 WeakPolarHBondContact O-CG2 3.4Å; A47-V51 PolarHBondContact O-N 2.99Å
48F90.5Very high88.3Confident0 Ų045 Ų450%022%0.215CC..Hα-helixtrans-62.8-52.2174157.1-119000111.3F40 N44 K45 E46 L50 V51 T52 F83 R84 T87 F110 P113 F118F40-F48 HydrophobicContact CE1-CB 4.09Å; N44-F48 PolarHBondContact O-N 2.96Å; N44-F48 VanDerWaalsContact O-N 3.16Å; K45-F48 WeakPolarHBondContact O-CA 3.17Å; K45-F48 WeakPolarHBondContact O-CB 3.49Å; K45-F48 PolarHBondContact O-N 2.92Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 3.26Å; F48-L50 PolarHBondContact O-N 3.07Å; F48-V51 PolarHBondContact O-N 3.49Å; F48-T52 VanDerWaalsContact CD2-OG1 3.24Å; F48-T52 WeakPolarHBondContact CD2-OG1 3.38Å; F48-T52 HydrophobicContact CE2-CG2 4.22Å; F48-T52 WeakPolarHBondContact CE2-OG1 3.36Å; F48-T52 WeakPolarHBondContact O-CB 3.49Å; F48-T52 PolarHBondContact O-N 3.42Å; F48-T52 PolarHBondContact O-OG1 2.96Å; F48-F83 HydrophobicContact CE1-CD1 4.17Å; F48-F83 AromaticContact CE1-CE1 3.97Å; F48-F83 HydrophobicContact CE1-CE1 3.97Å; F48-F83 HydrophobicContact CE2-CE1 4.44Å; F48-F83 HydrophobicContact CZ-CD1 4.16Å; F48-F83 AromaticContact CZ-CE1 3.78Å; F48-F83 HydrophobicContact CZ-CE1 3.78Å; F48-R84 HydrophobicContact CE1-CG 3.95Å; F48-R84 HydrophobicContact CZ-CG 4.31Å; F48-T87 HydrophobicContact CE2-CG2 4.09Å; F48-T87 HydrophobicContact CZ-CG2 4.17Å; F48-F110 AromaticContact CE2-CD1 3.69Å; F48-F110 HydrophobicContact CE2-CD1 3.69Å; F48-F110 HydrophobicContact CE2-CE1 4.13Å; F48-F110 HydrophobicContact CZ-CB 4.45Å; F48-F110 AromaticContact CZ-CD1 3.66Å; F48-F110 HydrophobicContact CZ-CD1 3.66Å; F48-F110 HydrophobicContact CZ-CE1 4.43Å; F48-F110 HydrophobicContact CZ-CG 4.44Å; F48-P113 HydrophobicContact CB-CB 3.66Å; F48-P113 HydrophobicContact CB-CG 3.9Å; F48-P113 HydrophobicContact CD1-CB 4.14Å; F48-P113 HydrophobicContact CD1-CG 4.05Å; F48-P113 HydrophobicContact CG-CB 3.85Å; F48-P113 HydrophobicContact CG-CG 4.17Å; F48-F118 HydrophobicContact CB-CZ 4.04Å; F48-F118 HydrophobicContact CD2-CE2 4.05Å; F48-F118 AromaticContact CD2-CZ 3.64Å; F48-F118 HydrophobicContact CD2-CZ 3.64Å; F48-F118 HydrophobicContact CE2-CE2 4.45Å; F48-F118 HydrophobicContact CE2-CZ 4.44Å; F48-F118 HydrophobicContact CG-CZ 4.08Å
49Y90Very high88.5Confident13 Ų1342.6 Ų42.65%0.05120%0.202CC..Hα-helixtrans-57.2-46.8180-60.4-43.9000112.1K45 E46 R53 V74 D80 F83K45-Y49 HydrophobicContact CB-CD2 4.41Å; K45-Y49 HydrophobicContact CB-CE2 3.74Å; K45-Y49 WeakPolarHBondContact O-CD2 3.31Å; K45-Y49 PolarHBondContact O-N 3.42Å; E46-Y49 PolarHBondContact O-N 2.98Å; Y49-R53 VanDerWaalsContact O-CB 3.24Å; Y49-R53 WeakPolarHBondContact O-CB 3.37Å; Y49-R53 PolarHBondContact O-N 2.73Å; Y49-V74 HydrophobicContact CD1-CG2 3.95Å; Y49-V74 HydrophobicContact CE1-CB 4.38Å; Y49-V74 HydrophobicContact CE1-CG1 4.07Å; Y49-V74 HydrophobicContact CE1-CG2 4.04Å; Y49-V74 HydrophobicContact CE2-CB 4.39Å; Y49-V74 HydrophobicContact CE2-CG1 4.21Å; Y49-V74 HydrophobicContact CG-CG2 4.32Å; Y49-D80 PolarHBondContact OH-OD1 2.82Å; Y49-F83 AromaticContact CD1-CD1 3.89Å; Y49-F83 HydrophobicContact CD1-CD1 3.89Å; Y49-F83 AromaticContact CD1-CE1 3.72Å; Y49-F83 HydrophobicContact CD1-CE1 3.72Å; Y49-F83 HydrophobicContact CD1-CZ 4.19Å; Y49-F83 HydrophobicContact CE1-CD1 4.09Å; Y49-F83 HydrophobicContact CE1-CE1 4.36Å
50L88.9Confident88.6Confident58 Ų5845.3 Ų45.330%0.30422%0.217SC..Hα-helixtrans-67.8-46180-67.6177.7000113L33 E46 F48 F54L33-L50 HydrophobicContact CD2-CD1 3.44Å; L33-L50 VanDerWaalsContact CD2-CD1 3.44Å; E46-L50 WeakPolarHBondContact O-CG 3.33Å; E46-L50 PolarHBondContact O-N 2.65Å; F48-L50 PolarHBondContact O-N 3.07Å; L50-F54 WeakPolarHBondContact O-CB 3.43Å; L50-F54 PolarHBondContact O-N 3.47Å
51V90.6Very high88.7Confident0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-70.4-40.8-178.2172.60000111.3L20 F25 M39 F40 A47 F48 F54 L55 M122L20-V51 HydrophobicContact CD1-CG1 3.76Å; L20-V51 HydrophobicContact CD1-CG2 4.01Å; L20-V51 HydrophobicContact CD2-CG1 3.83Å; L20-V51 HydrophobicContact CG-CG1 4.41Å; F25-V51 HydrophobicContact CE2-CG2 4.38Å; F25-V51 HydrophobicContact CZ-CG2 4.17Å; M39-V51 HydrophobicContact SD-CG2 4.34Å; F40-V51 HydrophobicContact CZ-CG2 4.48Å; A47-V51 WeakPolarHBondContact O-CB 3.47Å; A47-V51 WeakPolarHBondContact O-CG2 3.4Å; A47-V51 PolarHBondContact O-N 2.99Å; F48-V51 PolarHBondContact O-N 3.49Å; V51-F54 PolarHBondContact O-N 3.04Å; V51-L55 HydrophobicContact CG1-CD1 3.92Å; V51-L55 HydrophobicContact CG1-CG 4.45Å; V51-L55 WeakPolarHBondContact O-CB 3.43Å; V51-L55 WeakPolarHBondContact O-CG 3.27Å; V51-L55 PolarHBondContact O-N 3.14Å; V51-M122 HydrophobicContact CB-CE 4.43Å; V51-M122 HydrophobicContact CG1-CE 3.68Å
52T91.2Very high89Confident0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-66.7-41.1175.3-71.30000111.8F48 L56 F83 T87 M122F48-T52 VanDerWaalsContact CD2-OG1 3.24Å; F48-T52 WeakPolarHBondContact CD2-OG1 3.38Å; F48-T52 HydrophobicContact CE2-CG2 4.22Å; F48-T52 WeakPolarHBondContact CE2-OG1 3.36Å; F48-T52 WeakPolarHBondContact O-CB 3.49Å; F48-T52 PolarHBondContact O-N 3.42Å; F48-T52 PolarHBondContact O-OG1 2.96Å; T52-L56 HydrophobicContact CG2-CD1 3.74Å; T52-L56 HydrophobicContact CG2-CG 4.4Å; T52-L56 WeakPolarHBondContact O-CB 3.38Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.45Å; T52-L56 VanDerWaalsContact O-N 3.09Å; T52-F83 HydrophobicContact CG2-CE1 4.22Å; T52-F83 HydrophobicContact CG2-CZ 4.15Å; T52-T87 HydrophobicContact CG2-CG2 3.71Å; T52-M122 VanDerWaalsContact OG1-CE 3.29Å; T52-M122 WeakPolarHBondContact OG1-CE 3.08Å
53R90.4Very high89.4Confident85 Ų8545 Ų4532%0.32123%0.231SC..Hα-helixtrans-55.8-58.9171.1168.2169.8178-157-3.2110.1Y49 L55 L56 E57 F64 W72Y49-R53 VanDerWaalsContact O-CB 3.24Å; Y49-R53 WeakPolarHBondContact O-CB 3.37Å; Y49-R53 PolarHBondContact O-N 2.73Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.37Å; R53-L56 PolarHBondContact O-N 2.95Å; R53-E57 VanDerWaalsContact CG-OE2 3.25Å; R53-E57 WeakPolarHBondContact CG-OE2 3.49Å; R53-E57 IonicContact CZ-OE1 3.05Å; R53-E57 IonicContact CZ-OE2 3.59Å; R53-E57 IonicContact NE-OE1 2.64Å; R53-E57 PolarHBondContact NE-OE1 2.66Å; R53-E57 IonicContact NE-OE2 3.91Å; R53-E57 PolarHBondContact NE-OE2 3.08Å; R53-E57 IonicContact NH2-OE1 3.81Å; R53-E57 PolarHBondContact NH2-OE1 2.94Å; R53-E57 IonicContact NH2-OE2 2.89Å; R53-E57 PolarHBondContact NH2-OE2 3.36Å; R53-E57 WeakPolarHBondContact O-CB 3.31Å; R53-E57 PolarHBondContact O-N 3.33Å; R53-F64 HydrophobicContact CB-CE2 4.38Å; R53-F64 HydrophobicContact CB-CZ 3.96Å; R53-F64 HydrophobicContact CG-CE1 4.01Å; R53-F64 HydrophobicContact CG-CE2 4.37Å; R53-F64 HydrophobicContact CG-CZ 3.64Å; R53-W72 VanDerWaalsContact CD-CZ2 3.46Å
54F92.8Very high89.8Confident33 Ų3341 Ų4115%0.14521%0.205CC..Hα-helixtrans-53.6-47.8-175.9169.8-98.3000112.5L20 L23 F25 L50 V51 K58L20-F54 HydrophobicContact CD2-CD1 3.75Å; L20-F54 HydrophobicContact CD2-CE1 3.88Å; L23-F54 HydrophobicContact CB-CE1 3.76Å; L23-F54 HydrophobicContact CB-CZ 3.73Å; L23-F54 HydrophobicContact CD1-CE1 4.36Å; L23-F54 WeakPolarHBondContact O-CZ 3.41Å; F25-F54 HydrophobicContact CB-CD1 4.22Å; F25-F54 HydrophobicContact CB-CE1 3.77Å; F25-F54 HydrophobicContact CB-CE2 4.15Å; F25-F54 HydrophobicContact CB-CZ 3.72Å; F25-F54 HydrophobicContact CD2-CB 3.98Å; F25-F54 AromaticContact CD2-CD1 3.76Å; F25-F54 HydrophobicContact CD2-CD1 3.76Å; F25-F54 AromaticContact CD2-CD2 3.91Å; F25-F54 HydrophobicContact CD2-CD2 3.91Å; F25-F54 HydrophobicContact CD2-CE1 4.19Å; F25-F54 HydrophobicContact CD2-CE2 4.31Å; F25-F54 AromaticContact CD2-CG 3.61Å; F25-F54 HydrophobicContact CD2-CG 3.61Å; F25-F54 HydrophobicContact CD2-CZ 4.44Å; F25-F54 HydrophobicContact CE2-CB 4.21Å; F25-F54 HydrophobicContact CE2-CG 4.33Å; F25-F54 HydrophobicContact CG-CD1 4.42Å; F25-F54 HydrophobicContact CG-CE1 4.45Å; L50-F54 WeakPolarHBondContact O-CB 3.43Å; L50-F54 PolarHBondContact O-N 3.47Å; V51-F54 PolarHBondContact O-N 3.04Å; F54-K58 HydrophobicContact CD2-CG 4.45Å; F54-K58 HydrophobicContact CE2-CG 4.16Å; F54-K58 HydrophobicContact CZ-CG 4.25Å; F54-K58 VanDerWaalsContact O-CB 3.24Å; F54-K58 WeakPolarHBondContact O-CB 3.39Å; F54-K58 WeakPolarHBondContact O-CG 3.35Å; F54-K58 PolarHBondContact O-N 3.05Å
55L92.9Very high89.9Confident0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-67.3-40.1-178.7-71.3175.5000112.9L20 L23 V51 R53 L59 M122 L125 A126 V129L20-L55 HydrophobicContact CD2-CD1 4.06Å; L20-L55 HydrophobicContact CD2-CD2 3.74Å; L20-L55 HydrophobicContact CD2-CG 3.85Å; L23-L55 HydrophobicContact CD1-CD2 3.49Å; L23-L55 VanDerWaalsContact CD1-CD2 3.49Å; V51-L55 HydrophobicContact CG1-CD1 3.92Å; V51-L55 HydrophobicContact CG1-CG 4.45Å; V51-L55 WeakPolarHBondContact O-CB 3.43Å; V51-L55 WeakPolarHBondContact O-CG 3.27Å; V51-L55 PolarHBondContact O-N 3.14Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.37Å; L55-L59 WeakPolarHBondContact O-CB 3.28Å; L55-L59 PolarHBondContact O-N 3.39Å; L55-M122 HydrophobicContact CD1-CE 4.02Å; L55-L125 HydrophobicContact CB-CD2 3.88Å; L55-L125 HydrophobicContact CB-CG 4.15Å; L55-L125 HydrophobicContact CD1-CB 4.46Å; L55-L125 HydrophobicContact CD1-CD2 3.72Å; L55-L125 HydrophobicContact CD1-CG 3.94Å; L55-L125 HydrophobicContact CG-CD2 4.46Å; L55-A126 HydrophobicContact CD1-CB 4.04Å; L55-A126 HydrophobicContact CD2-CB 4.05Å; L55-V129 HydrophobicContact CB-CG2 4.25Å; L55-V129 HydrophobicContact CD2-CB 4.31Å; L55-V129 HydrophobicContact CD2-CG2 4.21Å; L55-V129 WeakPolarHBondContact O-CG2 3.48Å
56L92.1Very high90.1Very high0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-80-34.2-178.5-66.1179.1000113.1T52 R53 L59 N60 F64 Y68 W90 L91 I94 L125T52-L56 HydrophobicContact CG2-CD1 3.74Å; T52-L56 HydrophobicContact CG2-CG 4.4Å; T52-L56 WeakPolarHBondContact O-CB 3.38Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.45Å; T52-L56 VanDerWaalsContact O-N 3.09Å; R53-L56 PolarHBondContact O-N 2.95Å; L56-L59 HydrophobicContact CD2-CD2 4.36Å; L56-L59 PolarHBondContact O-N 2.97Å; L56-N60 PolarHBondContact O-N 3.29Å; L56-F64 HydrophobicContact CB-CD2 3.8Å; L56-F64 HydrophobicContact CB-CE2 4.34Å; L56-Y68 HydrophobicContact CD1-CE2 4.11Å; L56-Y68 WeakPolarHBondContact CD1-OH 3.39Å; L56-W90 HydrophobicContact CB-CE3 4.46Å; L56-W90 HydrophobicContact CB-CH2 3.93Å; L56-W90 HydrophobicContact CB-CZ3 3.89Å; L56-W90 HydrophobicContact CD1-CD2 4.44Å; L56-W90 HydrophobicContact CD1-CE3 3.94Å; L56-W90 HydrophobicContact CD1-CZ3 4.16Å; L56-W90 HydrophobicContact CD2-CD2 4.11Å; L56-W90 HydrophobicContact CD2-CE3 4.26Å; L56-W90 HydrophobicContact CD2-CH2 4.33Å; L56-W90 HydrophobicContact CD2-CZ2 4.2Å; L56-W90 HydrophobicContact CD2-CZ3 4.38Å; L56-W90 HydrophobicContact CG-CE3 4.47Å; L56-W90 HydrophobicContact CG-CZ3 4.37Å; L56-L91 HydrophobicContact CD2-CD2 4.13Å; L56-I94 HydrophobicContact CD2-CD1 4.04Å; L56-L125 HydrophobicContact CD2-CD1 4.11Å
57E91.6Very high90.3Very high45 Ų4546 Ų4621%0.2123%0.233CC..Hα-helixtrans-67.5-35.9173.1-168.9171.3-151.700111.1R53 P61 F64 H65R53-E57 VanDerWaalsContact CG-OE2 3.25Å; R53-E57 WeakPolarHBondContact CG-OE2 3.49Å; R53-E57 IonicContact CZ-OE1 3.05Å; R53-E57 IonicContact CZ-OE2 3.59Å; R53-E57 IonicContact NE-OE1 2.64Å; R53-E57 PolarHBondContact NE-OE1 2.66Å; R53-E57 IonicContact NE-OE2 3.91Å; R53-E57 PolarHBondContact NE-OE2 3.08Å; R53-E57 IonicContact NH2-OE1 3.81Å; R53-E57 PolarHBondContact NH2-OE1 2.94Å; R53-E57 IonicContact NH2-OE2 2.89Å; R53-E57 PolarHBondContact NH2-OE2 3.36Å; R53-E57 WeakPolarHBondContact O-CB 3.31Å; R53-E57 PolarHBondContact O-N 3.33Å; E57-P61 WeakPolarHBondContact O-CA 3.47Å; E57-P61 WeakPolarHBondContact O-CB 3.36Å; E57-P61 WeakPolarHBondContact O-CD 3.5Å; E57-F64 HydrophobicContact CB-CD1 4.04Å; E57-F64 HydrophobicContact CB-CE1 4.47Å; E57-F64 HydrophobicContact CB-CG 4.11Å; E57-F64 HydrophobicContact CG-CD1 4.12Å; E57-H65 IonicContact OE1-CE1 3.72Å
58K89.1Confident90.4Very high97 Ų9746.2 Ų46.242%0.42223%0.233SC..Hα-helixtrans-67.1-40.1167.5-83.7-77-165.2158.50113.3L23 F54 V129L23-K58 WeakPolarHBondContact O-CE 3.43Å; L23-K58 PolarHBondContact O-NZ 3.39Å; F54-K58 HydrophobicContact CD2-CG 4.45Å; F54-K58 HydrophobicContact CE2-CG 4.16Å; F54-K58 HydrophobicContact CZ-CG 4.25Å; F54-K58 VanDerWaalsContact O-CB 3.24Å; F54-K58 WeakPolarHBondContact O-CB 3.39Å; F54-K58 WeakPolarHBondContact O-CG 3.35Å; F54-K58 PolarHBondContact O-N 3.05Å; K58-V129 HydrophobicContact CB-CG1 4Å
59L89.9Confident90.3Very high42 Ų4255.1 Ų55.122%0.2227%0.267CS..Hα-helixtrans-69.8-44.3-177.4-17559.8000112.8L55 L56 I94 V129 Q132L55-L59 WeakPolarHBondContact O-CB 3.28Å; L55-L59 PolarHBondContact O-N 3.39Å; L56-L59 HydrophobicContact CD2-CD2 4.36Å; L56-L59 PolarHBondContact O-N 2.97Å; L59-I94 HydrophobicContact CD2-CD1 3.53Å; L59-I94 HydrophobicContact CD2-CG1 4.25Å; L59-V129 HydrophobicContact CB-CG2 4.06Å; L59-V129 HydrophobicContact CD1-CG2 4.32Å; L59-V129 HydrophobicContact CD2-CG2 4.46Å; L59-Q132 HydrophobicContact CD1-CB 4.22Å; L59-Q132 HydrophobicContact CD1-CG 3.98Å
60N88.4Confident90Very high67 Ų6762.3 Ų62.336%0.35830%0.301SS..  trans-159.298.7174.5-172.5-35.6000110L56 A62 R63 F64 W90L56-N60 PolarHBondContact O-N 3.29Å; N60-A62 PolarHBondContact O-N 3.03Å; N60-A62 PolarHBondContact OD1-N 3.2Å; N60-R63 HydrophobicContact CB-CB 4.03Å; N60-R63 PolarHBondContact O-N 3.1Å; N60-R63 PolarHBondContact OD1-N 2.92Å; N60-F64 WeakPolarHBondContact O-CB 3.49Å; N60-F64 PolarHBondContact O-N 2.9Å; N60-W90 HydrophobicContact CB-CH2 4.41Å; N60-W90 HydrophobicContact CB-CZ2 4.16Å
61P90Very high89.9Confident68 Ų6859.8 Ų59.844%0.44229%0.288SS..Hα-helixtrans-66.9-35.7-175.924.7-32.8000112.5E57 F64 H65E57-P61 WeakPolarHBondContact O-CA 3.47Å; E57-P61 WeakPolarHBondContact O-CB 3.36Å; E57-P61 WeakPolarHBondContact O-CD 3.5Å; P61-F64 PolarHBondContact O-N 3.43Å; P61-H65 PolarHBondContact O-CD2 2.79Å; P61-H65 PolarHBondContact O-N 2.68Å
62A89.6Confident89.6Confident70 Ų7063.1 Ų63.158%0.57930%0.301SS*.Hα-helixtrans-63.1-51.3178.100000111.3N60 F64 H65 E66N60-A62 PolarHBondContact O-N 3.03Å; N60-A62 PolarHBondContact OD1-N 3.2Å; A62-F64 VanDerWaalsContact C-N 3.26Å; A62-F64 PolarHBondContact O-N 2.74Å; A62-H65 PolarHBondContact O-N 3.05Å; A62-E66 PolarHBondContact O-N 2.61Å; A62-E66 VanDerWaalsContact O-N 3.08Å
63R90.4Very high89.3Confident78 Ų7867.3 Ų67.329%0.29433%0.328SS..Hα-helixtrans-61.5-35.6175.6-176.1172.8177178.3-0.2111.6N60 S67 W90 E93N60-R63 HydrophobicContact CB-CB 4.03Å; N60-R63 PolarHBondContact O-N 3.1Å; N60-R63 PolarHBondContact OD1-N 2.92Å; R63-S67 WeakPolarHBondContact O-CB 3.3Å; R63-S67 PolarHBondContact O-N 3.09Å; R63-S67 PolarHBondContact O-OG 3.32Å; R63-W90 HydrophobicContact CB-CH2 4.02Å; R63-W90 HydrophobicContact CB-CZ2 4.24Å; R63-W90 HydrophobicContact CG-CE3 4.44Å; R63-W90 HydrophobicContact CG-CH2 3.93Å; R63-W90 HydrophobicContact CG-CZ2 4.02Å; R63-W90 HydrophobicContact CG-CZ3 4.13Å; R63-W90 VanDerWaalsContact CZ-CD1 3.46Å; R63-E93 IonicContact CZ-OE2 3.31Å; R63-E93 IonicContact NH1-OE2 2.68Å; R63-E93 PolarHBondContact NH1-OE2 3.33Å; R63-E93 IonicContact NH2-OE1 2.74Å; R63-E93 PolarHBondContact NH2-OE1 2.95Å; R63-E93 IonicContact NH2-OE2 3.85Å; R63-E93 PolarHBondContact NH2-OE2 2.89Å
64F92.1Very high89.1Confident3 Ų364.9 Ų64.91%0.01332%0.322CS..Hα-helixtrans-64.8-52.1175.9-175.4-95.5000112.2R53 L56 E57 N60 P61 A62 E66 S67 Y68 W90R53-F64 HydrophobicContact CB-CE2 4.38Å; R53-F64 HydrophobicContact CB-CZ 3.96Å; R53-F64 HydrophobicContact CG-CE1 4.01Å; R53-F64 HydrophobicContact CG-CE2 4.37Å; R53-F64 HydrophobicContact CG-CZ 3.64Å; L56-F64 HydrophobicContact CB-CD2 3.8Å; L56-F64 HydrophobicContact CB-CE2 4.34Å; E57-F64 HydrophobicContact CB-CD1 4.04Å; E57-F64 HydrophobicContact CB-CE1 4.47Å; E57-F64 HydrophobicContact CB-CG 4.11Å; E57-F64 HydrophobicContact CG-CD1 4.12Å; N60-F64 WeakPolarHBondContact O-CB 3.49Å; N60-F64 PolarHBondContact O-N 2.9Å; P61-F64 PolarHBondContact O-N 3.43Å; A62-F64 VanDerWaalsContact C-N 3.26Å; A62-F64 PolarHBondContact O-N 2.74Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 3.13Å; F64-S67 PolarHBondContact O-N 3.1Å; F64-Y68 AromaticContact CD2-CD2 3.32Å; F64-Y68 HydrophobicContact CD2-CD2 3.32Å; F64-Y68 AromaticContact CD2-CE2 3.52Å; F64-Y68 HydrophobicContact CD2-CE2 3.52Å; F64-Y68 HydrophobicContact CD2-CG 4.14Å; F64-Y68 HydrophobicContact CE2-CD1 4.3Å; F64-Y68 AromaticContact CE2-CD2 3.36Å; F64-Y68 HydrophobicContact CE2-CD2 3.36Å; F64-Y68 HydrophobicContact CE2-CE1 4.49Å; F64-Y68 AromaticContact CE2-CE2 3.58Å; F64-Y68 HydrophobicContact CE2-CE2 3.58Å; F64-Y68 AromaticContact CE2-CG 3.74Å; F64-Y68 HydrophobicContact CE2-CG 3.74Å; F64-Y68 HydrophobicContact CG-CD2 4.03Å; F64-Y68 HydrophobicContact CZ-CD2 4.1Å; F64-Y68 HydrophobicContact CZ-CG 4.09Å; F64-Y68 WeakPolarHBondContact O-CB 3.45Å; F64-Y68 WeakPolarHBondContact O-CD2 3.4Å; F64-Y68 PolarHBondContact O-N 3.23Å; F64-W90 HydrophobicContact CB-CH2 4.2Å; F64-W90 HydrophobicContact CB-CZ3 4.17Å; F64-W90 HydrophobicContact CD2-CZ3 4.22Å
65H88.8Confident88.6Confident112 Ų11268.9 Ų68.952%0.51935%0.349SS..Hα-helixtrans-64.2-32.1-179-67-48.4000113.3E57 P61 A62 R69E57-H65 IonicContact OE1-CE1 3.72Å; P61-H65 PolarHBondContact O-CD2 2.79Å; P61-H65 PolarHBondContact O-N 2.68Å; A62-H65 PolarHBondContact O-N 3.05Å; H65-R69 WeakPolarHBondContact O-CB 3.23Å
66E91Very high88.3Confident156 Ų15674.3 Ų74.373%0.72938%0.378SS*.Hα-helixtrans-71.9-55.5172.1-175.3171.4-144.600111.8A62 F64 Y68 R69A62-E66 PolarHBondContact O-N 2.61Å; A62-E66 VanDerWaalsContact O-N 3.08Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 3.13Å; E66-Y68 VanDerWaalsContact C-N 3.33Å; E66-Y68 PolarHBondContact O-N 2.9Å; E66-R69 WeakPolarHBondContact O-CB 3.24Å; E66-R69 PolarHBondContact O-N 3.08Å
67S88.3Confident88Confident40 Ų4081.3 Ų81.328%0.2841%0.411SS..Hα-helixtrans-66.5-31.7-172.1-53.70000113.6R63 F64R63-S67 WeakPolarHBondContact O-CB 3.3Å; R63-S67 PolarHBondContact O-N 3.09Å; R63-S67 PolarHBondContact O-OG 3.32Å; F64-S67 PolarHBondContact O-N 3.1Å
68Y90.2Very high87.7Confident3 Ų387.7 Ų87.71%0.01244%0.437CS..THydrogen-bonded Turntrans-101.12.6-176.7-69.9-90.9000114.2L56 F64 E66 H70 C71 W72 F83 V86 T87 W90L56-Y68 HydrophobicContact CD1-CE2 4.11Å; L56-Y68 WeakPolarHBondContact CD1-OH 3.39Å; F64-Y68 AromaticContact CD2-CD2 3.32Å; F64-Y68 HydrophobicContact CD2-CD2 3.32Å; F64-Y68 AromaticContact CD2-CE2 3.52Å; F64-Y68 HydrophobicContact CD2-CE2 3.52Å; F64-Y68 HydrophobicContact CD2-CG 4.14Å; F64-Y68 HydrophobicContact CE2-CD1 4.3Å; F64-Y68 AromaticContact CE2-CD2 3.36Å; F64-Y68 HydrophobicContact CE2-CD2 3.36Å; F64-Y68 HydrophobicContact CE2-CE1 4.49Å; F64-Y68 AromaticContact CE2-CE2 3.58Å; F64-Y68 HydrophobicContact CE2-CE2 3.58Å; F64-Y68 AromaticContact CE2-CG 3.74Å; F64-Y68 HydrophobicContact CE2-CG 3.74Å; F64-Y68 HydrophobicContact CG-CD2 4.03Å; F64-Y68 HydrophobicContact CZ-CD2 4.1Å; F64-Y68 HydrophobicContact CZ-CG 4.09Å; F64-Y68 WeakPolarHBondContact O-CB 3.45Å; F64-Y68 WeakPolarHBondContact O-CD2 3.4Å; F64-Y68 PolarHBondContact O-N 3.23Å; E66-Y68 VanDerWaalsContact C-N 3.33Å; E66-Y68 PolarHBondContact O-N 2.9Å; Y68-H70 PolarHBondContact O-N 3.41Å; Y68-C71 VanDerWaalsContact CD1-SG 3.59Å; Y68-C71 PolarHBondContact O-N 3.23Å; Y68-W72 PolarHBondContact O-N 2.72Å; Y68-F83 AromaticContact CD1-CD2 3.5Å; Y68-F83 HydrophobicContact CD1-CD2 3.5Å; Y68-F83 AromaticContact CD1-CE2 3.59Å; Y68-F83 HydrophobicContact CD1-CE2 3.59Å; Y68-F83 HydrophobicContact CD1-CG 4.28Å; Y68-F83 HydrophobicContact CD1-CZ 4.43Å; Y68-F83 HydrophobicContact CE1-CD1 4.4Å; Y68-F83 AromaticContact CE1-CD2 3.59Å; Y68-F83 HydrophobicContact CE1-CD2 3.59Å; Y68-F83 HydrophobicContact CE1-CE1 4.35Å; Y68-F83 AromaticContact CE1-CE2 3.54Å; Y68-F83 HydrophobicContact CE1-CE2 3.54Å; Y68-F83 HydrophobicContact CE1-CG 4.03Å; Y68-F83 AromaticContact CE1-CZ 3.94Å; Y68-F83 HydrophobicContact CE1-CZ 3.94Å; Y68-V86 HydrophobicContact CD1-CG1 4.38Å; Y68-V86 HydrophobicContact CD2-CG1 4.26Å; Y68-V86 HydrophobicContact CE1-CB 4.26Å; Y68-V86 HydrophobicContact CE1-CG1 3.98Å; Y68-V86 HydrophobicContact CE2-CG1 3.87Å; Y68-T87 VanDerWaalsContact OH-CA 3.28Å; Y68-T87 WeakPolarHBondContact OH-CA 3.32Å; Y68-T87 PolarHBondContact OH-N 2.76Å; Y68-T87 PolarHBondContact OH-OG1 3.32Å; Y68-W90 HydrophobicContact CD2-CZ3 4.48Å; Y68-W90 AromaticContact CE2-CE3 3.86Å; Y68-W90 HydrophobicContact CE2-CE3 3.86Å; Y68-W90 AromaticContact CE2-CZ3 3.86Å; Y68-W90 HydrophobicContact CE2-CZ3 3.86Å
69R88Confident87.5Confident187 Ų18783.7 Ų83.771%0.70642%0.422SS*.THydrogen-bonded Turntrans-48.2-30.6-175.8-171.2176.6-177.9173.91.6115.4H65 E66H65-R69 WeakPolarHBondContact O-CB 3.23Å; E66-R69 WeakPolarHBondContact O-CB 3.24Å; E66-R69 PolarHBondContact O-N 3.08Å
70H84.4Confident87.4Confident164 Ų16482 Ų8276%0.75941%0.414SS*.THydrogen-bonded Turntrans-113.32.1-174.5-58.6-63.9000114.3Y68Y68-H70 PolarHBondContact O-N 3.41Å
71C86.3Confident87.4Confident6 Ų680.9 Ų80.94%0.04141%0.414CS..THydrogen-bonded Turntrans-131.6-0.8179.561.50000114.4Y68 E82 F83Y68-C71 VanDerWaalsContact CD1-SG 3.59Å; Y68-C71 PolarHBondContact O-N 3.23Å; C71-E82 HydrophobicContact CB-CB 3.89Å; C71-F83 HydrophobicContact CB-CB 4.13Å
72W84.5Confident87.3Confident70 Ų7081.6 Ų81.627%0.26541%0.411SS..  trans-116.2134170.8-176.5-103.1000111.4R53 Y68 V74 F83R53-W72 VanDerWaalsContact CD-CZ2 3.46Å; Y68-W72 PolarHBondContact O-N 2.72Å; W72-V74 HydrophobicContact CE3-CG2 4.07Å; W72-V74 HydrophobicContact CZ3-CG2 4.21Å; W72-F83 HydrophobicContact CE3-CD2 4.17Å; W72-F83 AromaticContact CE3-CE2 3.69Å; W72-F83 HydrophobicContact CE3-CE2 3.69Å; W72-F83 HydrophobicContact CZ3-CE2 4.19Å
73P84.4Confident87.4Confident87 Ų8778.2 Ų78.257%0.56538%0.384SS*.SBendcis-69.7156.3-6.5-18.433.4000113.9V75P73-V75 VanDerWaalsContact C-N 3.29Å; P73-V75 HydrophobicContact CB-CG2 4.2Å; P73-V75 PolarHBondContact O-N 2.97Å
74V85.3Confident87.5Confident34 Ų3475.6 Ų75.621%0.20637%0.374CS..  trans-80.371.7-177.5-171.60000111.2Y49 W72 D80 F83Y49-V74 HydrophobicContact CD1-CG2 3.95Å; Y49-V74 HydrophobicContact CE1-CB 4.38Å; Y49-V74 HydrophobicContact CE1-CG1 4.07Å; Y49-V74 HydrophobicContact CE1-CG2 4.04Å; Y49-V74 HydrophobicContact CE2-CB 4.39Å; Y49-V74 HydrophobicContact CE2-CG1 4.21Å; Y49-V74 HydrophobicContact CG-CG2 4.32Å; W72-V74 HydrophobicContact CE3-CG2 4.07Å; W72-V74 HydrophobicContact CZ3-CG2 4.21Å; V74-D80 HydrophobicContact CG1-CB 3.7Å; V74-F83 HydrophobicContact CG2-CB 4.01Å; V74-F83 HydrophobicContact CG2-CD2 3.6Å; V74-F83 HydrophobicContact CG2-CE2 4.22Å; V74-F83 HydrophobicContact CG2-CG 3.79Å
75V82.8Confident87.4Confident117 Ų11780.2 Ų80.271%0.70939%0.394SS*.  trans-88-29.6-179-172.60000112.7P73P73-V75 VanDerWaalsContact C-N 3.29Å; P73-V75 HydrophobicContact CB-CG2 4.2Å; P73-V75 PolarHBondContact O-N 2.97Å
76N86.6Confident87.5Confident115 Ų11576.5 Ų76.562%0.61538%0.379SS*.SBendtrans-121.1149.9-171-75.9-58.3000112.1K78 A79 D80N76-K78 PolarHBondContact O-N 3.02Å; N76-K78 VanDerWaalsContact O-N 3.13Å; N76-A79 HydrophobicContact CB-CB 4.43Å; N76-A79 CarbonylContact O-C 3.54Å; N76-A79 WeakPolarHBondContact O-CA 3.4Å; N76-A79 WeakPolarHBondContact O-CB 3.43Å; N76-A79 PolarHBondContact O-N 3.39Å; N76-D80 PolarHBondContact O-N 2.89Å
77H85.4Confident87.5Confident147 Ų14769 Ų6968%0.68134%0.344SS*.Hα-helixtrans-59.1-28.2176.9-169.1-82000113.4A81H77-A81 PolarHBondContact O-N 3.4Å
78K86.4Confident87.5Confident178 Ų17867.2 Ų67.277%0.77433%0.331SS*.Hα-helixtrans-66.4-41.9170.7-67.2-175.3178.6-179.20112N76 A81 E82N76-K78 PolarHBondContact O-N 3.02Å; N76-K78 VanDerWaalsContact O-N 3.13Å; K78-A81 PolarHBondContact O-N 2.93Å; K78-E82 PolarHBondContact O-N 2.94Å; K78-E82 VanDerWaalsContact O-N 3.1Å
79A85.5Confident87.5Confident13 Ų1370.7 Ų70.711%0.10735%0.353CS..Hα-helixtrans-67.2-39174.300000111.5N76 A81 E82 F83N76-A79 HydrophobicContact CB-CB 4.43Å; N76-A79 CarbonylContact O-C 3.54Å; N76-A79 WeakPolarHBondContact O-CA 3.4Å; N76-A79 WeakPolarHBondContact O-CB 3.43Å; N76-A79 PolarHBondContact O-N 3.39Å; A79-A81 VanDerWaalsContact C-N 3.32Å; A79-A81 PolarHBondContact O-N 3.01Å; A79-E82 PolarHBondContact O-N 2.8Å; A79-F83 WeakPolarHBondContact O-CB 3.3Å; A79-F83 PolarHBondContact O-N 2.96Å
80D87.4Confident87.6Confident7 Ų762.2 Ų62.24%0.03732%0.321CS..Hα-helixtrans-60.5-39.9173.9-17623.9000111.7K45 Y49 V74 N76 R84K45-D80 IonicContact NZ-OD2 2.98Å; K45-D80 PolarHBondContact NZ-OD2 3.06Å; Y49-D80 PolarHBondContact OH-OD1 2.82Å; V74-D80 HydrophobicContact CG1-CB 3.7Å; N76-D80 PolarHBondContact O-N 2.89Å; D80-R84 WeakPolarHBondContact O-CB 3.38Å; D80-R84 WeakPolarHBondContact O-CG 3.49Å; D80-R84 PolarHBondContact O-N 2.86Å; D80-R84 PolarHBondContact O-NE 3.11Å; D80-R84 WeakPolarHBondContact OD1-CD 3.4Å; D80-R84 IonicContact OD1-CZ 2.74Å; D80-R84 VanDerWaalsContact OD1-CZ 3.22Å; D80-R84 IonicContact OD1-NE 2.66Å; D80-R84 PolarHBondContact OD1-NE 3.31Å; D80-R84 IonicContact OD1-NH1 2.65Å; D80-R84 IonicContact OD1-NH2 2.7Å; D80-R84 PolarHBondContact OD1-NH2 3.21Å; D80-R84 IonicContact OD2-CZ 2.72Å; D80-R84 IonicContact OD2-NE 3.51Å; D80-R84 IonicContact OD2-NH1 3.99Å; D80-R84 IonicContact OD2-NH2 3.14Å; D80-R84 PolarHBondContact OD2-NH2 3.09Å
81A88.2Confident87.8Confident44 Ų4454.5 Ų54.536%0.36429%0.285SS..Hα-helixtrans-65.1-49.7174.900000112.3H77 K78 A79 K85H77-A81 PolarHBondContact O-N 3.4Å; K78-A81 PolarHBondContact O-N 2.93Å; A79-A81 VanDerWaalsContact C-N 3.32Å; A79-A81 PolarHBondContact O-N 3.01Å; A81-K85 WeakPolarHBondContact O-CB 3.48Å; A81-K85 PolarHBondContact O-N 3.19Å
82E88.5Confident87.9Confident82 Ų8260 Ų6038%0.38331%0.305SS..Hα-helixtrans-70.7-36.5-179.3-72.4-61.1144.700113C71 K78 A79 K85 V86C71-E82 HydrophobicContact CB-CB 3.89Å; K78-E82 PolarHBondContact O-N 2.94Å; K78-E82 VanDerWaalsContact O-N 3.1Å; A79-E82 PolarHBondContact O-N 2.8Å; E82-K85 PolarHBondContact O-N 2.89Å; E82-K85 IonicContact OE1-NZ 3.49Å; E82-K85 PolarHBondContact OE1-NZ 3.37Å; E82-K85 WeakPolarHBondContact OE2-CD 3.48Å; E82-K85 IonicContact OE2-NZ 2.94Å; E82-K85 PolarHBondContact OE2-NZ 3.23Å; E82-V86 WeakPolarHBondContact O-CG2 3.41Å; E82-V86 PolarHBondContact O-N 3.37Å
83F91.7Very high88.1Confident0 Ų059.7 Ų59.70%031%0.307CS..Hα-helixtrans-56.9-54173.6-175.6-79.9000110.3F48 Y49 T52 Y68 C71 W72 V74 A79 K85 V86 T87F48-F83 HydrophobicContact CE1-CD1 4.17Å; F48-F83 AromaticContact CE1-CE1 3.97Å; F48-F83 HydrophobicContact CE1-CE1 3.97Å; F48-F83 HydrophobicContact CE2-CE1 4.44Å; F48-F83 HydrophobicContact CZ-CD1 4.16Å; F48-F83 AromaticContact CZ-CE1 3.78Å; F48-F83 HydrophobicContact CZ-CE1 3.78Å; Y49-F83 AromaticContact CD1-CD1 3.89Å; Y49-F83 HydrophobicContact CD1-CD1 3.89Å; Y49-F83 AromaticContact CD1-CE1 3.72Å; Y49-F83 HydrophobicContact CD1-CE1 3.72Å; Y49-F83 HydrophobicContact CD1-CZ 4.19Å; Y49-F83 HydrophobicContact CE1-CD1 4.09Å; Y49-F83 HydrophobicContact CE1-CE1 4.36Å; T52-F83 HydrophobicContact CG2-CE1 4.22Å; T52-F83 HydrophobicContact CG2-CZ 4.15Å; Y68-F83 AromaticContact CD1-CD2 3.5Å; Y68-F83 HydrophobicContact CD1-CD2 3.5Å; Y68-F83 AromaticContact CD1-CE2 3.59Å; Y68-F83 HydrophobicContact CD1-CE2 3.59Å; Y68-F83 HydrophobicContact CD1-CG 4.28Å; Y68-F83 HydrophobicContact CD1-CZ 4.43Å; Y68-F83 HydrophobicContact CE1-CD1 4.4Å; Y68-F83 AromaticContact CE1-CD2 3.59Å; Y68-F83 HydrophobicContact CE1-CD2 3.59Å; Y68-F83 HydrophobicContact CE1-CE1 4.35Å; Y68-F83 AromaticContact CE1-CE2 3.54Å; Y68-F83 HydrophobicContact CE1-CE2 3.54Å; Y68-F83 HydrophobicContact CE1-CG 4.03Å; Y68-F83 AromaticContact CE1-CZ 3.94Å; Y68-F83 HydrophobicContact CE1-CZ 3.94Å; C71-F83 HydrophobicContact CB-CB 4.13Å; W72-F83 HydrophobicContact CE3-CD2 4.17Å; W72-F83 AromaticContact CE3-CE2 3.69Å; W72-F83 HydrophobicContact CE3-CE2 3.69Å; W72-F83 HydrophobicContact CZ3-CE2 4.19Å; V74-F83 HydrophobicContact CG2-CB 4.01Å; V74-F83 HydrophobicContact CG2-CD2 3.6Å; V74-F83 HydrophobicContact CG2-CE2 4.22Å; V74-F83 HydrophobicContact CG2-CG 3.79Å; A79-F83 WeakPolarHBondContact O-CB 3.3Å; A79-F83 PolarHBondContact O-N 2.96Å; F83-K85 VanDerWaalsContact C-N 3.28Å; F83-K85 PolarHBondContact O-N 2.94Å; F83-V86 PolarHBondContact O-N 2.91Å; F83-T87 WeakPolarHBondContact CE1-OG1 3.36Å; F83-T87 WeakPolarHBondContact O-CB 3.45Å; F83-T87 PolarHBondContact O-N 2.89Å; F83-T87 PolarHBondContact O-OG1 3.03Å
84R90.8Very high88.2Confident22 Ų2255.9 Ų55.98%0.08328%0.282CS..Hα-helixtrans-63.2-33.8179.6-70177.8-68.8-174.8-4.6112.7F48 D80 C88 F110F48-R84 HydrophobicContact CE1-CG 3.95Å; F48-R84 HydrophobicContact CZ-CG 4.31Å; D80-R84 WeakPolarHBondContact O-CB 3.38Å; D80-R84 WeakPolarHBondContact O-CG 3.49Å; D80-R84 PolarHBondContact O-N 2.86Å; D80-R84 PolarHBondContact O-NE 3.11Å; D80-R84 WeakPolarHBondContact OD1-CD 3.4Å; D80-R84 IonicContact OD1-CZ 2.74Å; D80-R84 VanDerWaalsContact OD1-CZ 3.22Å; D80-R84 IonicContact OD1-NE 2.66Å; D80-R84 PolarHBondContact OD1-NE 3.31Å; D80-R84 IonicContact OD1-NH1 2.65Å; D80-R84 IonicContact OD1-NH2 2.7Å; D80-R84 PolarHBondContact OD1-NH2 3.21Å; D80-R84 IonicContact OD2-CZ 2.72Å; D80-R84 IonicContact OD2-NE 3.51Å; D80-R84 IonicContact OD2-NH1 3.99Å; D80-R84 IonicContact OD2-NH2 3.14Å; D80-R84 PolarHBondContact OD2-NH2 3.09Å; R84-C88 WeakPolarHBondContact O-CB 3.35Å; R84-C88 PolarHBondContact O-N 3.01Å; R84-F110 HydrophobicContact CB-CB 4.06Å; R84-F110 WeakPolarHBondContact CD-O 3.4Å; R84-F110 HydrophobicContact CG-CB 3.91Å
85K90.6Very high88.1Confident100 Ų10055.3 Ų55.344%0.43528%0.277SS..Hα-helixtrans-65.6-52.1174.9174.6175.3154.7-132.60111.6A81 E82 F83 C88 T89A81-K85 WeakPolarHBondContact O-CB 3.48Å; A81-K85 PolarHBondContact O-N 3.19Å; E82-K85 PolarHBondContact O-N 2.89Å; E82-K85 IonicContact OE1-NZ 3.49Å; E82-K85 PolarHBondContact OE1-NZ 3.37Å; E82-K85 WeakPolarHBondContact OE2-CD 3.48Å; E82-K85 IonicContact OE2-NZ 2.94Å; E82-K85 PolarHBondContact OE2-NZ 3.23Å; F83-K85 VanDerWaalsContact C-N 3.28Å; F83-K85 PolarHBondContact O-N 2.94Å; K85-C88 PolarHBondContact O-N 3.07Å; K85-T89 PolarHBondContact O-N 3.03Å; K85-T89 VanDerWaalsContact O-N 3.1Å; K85-T89 PolarHBondContact O-OG1 2.9Å; K85-T89 VanDerWaalsContact O-OG1 3.09Å
86V90.9Very high88Confident34 Ų3455.3 Ų55.321%0.20627%0.273CS..Hα-helixtrans-60-46.7176.2172.80000111Y68 E82 F83 C88 T89 W90Y68-V86 HydrophobicContact CD1-CG1 4.38Å; Y68-V86 HydrophobicContact CD2-CG1 4.26Å; Y68-V86 HydrophobicContact CE1-CB 4.26Å; Y68-V86 HydrophobicContact CE1-CG1 3.98Å; Y68-V86 HydrophobicContact CE2-CG1 3.87Å; E82-V86 WeakPolarHBondContact O-CG2 3.41Å; E82-V86 PolarHBondContact O-N 3.37Å; F83-V86 PolarHBondContact O-N 2.91Å; V86-C88 PolarHBondContact O-N 3.48Å; V86-T89 PolarHBondContact O-N 3.22Å; V86-W90 PolarHBondContact O-N 2.99Å
87T90.6Very high87.6Confident0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-58.1-47.7174.9-590000112.1F48 T52 Y68 F83 T89 W90 L91 F110F48-T87 HydrophobicContact CE2-CG2 4.09Å; F48-T87 HydrophobicContact CZ-CG2 4.17Å; T52-T87 HydrophobicContact CG2-CG2 3.71Å; Y68-T87 VanDerWaalsContact OH-CA 3.28Å; Y68-T87 WeakPolarHBondContact OH-CA 3.32Å; Y68-T87 PolarHBondContact OH-N 2.76Å; Y68-T87 PolarHBondContact OH-OG1 3.32Å; F83-T87 WeakPolarHBondContact CE1-OG1 3.36Å; F83-T87 WeakPolarHBondContact O-CB 3.45Å; F83-T87 PolarHBondContact O-N 2.89Å; F83-T87 PolarHBondContact O-OG1 3.03Å; T87-T89 PolarHBondContact O-N 3.15Å; T87-W90 PolarHBondContact O-N 2.87Å; T87-L91 HydrophobicContact CG2-CD1 3.54Å; T87-L91 HydrophobicContact CG2-CG 3.96Å; T87-L91 VanDerWaalsContact O-CB 3.27Å; T87-L91 WeakPolarHBondContact O-CB 3.46Å; T87-L91 VanDerWaalsContact O-CG 3.24Å; T87-L91 WeakPolarHBondContact O-CG 3.1Å; T87-L91 PolarHBondContact O-N 3.45Å; T87-F110 HydrophobicContact CG2-CD1 4.34Å; T87-F110 HydrophobicContact CG2-CE1 3.91Å; T87-F110 HydrophobicContact CG2-CZ 4.39Å
88C89Confident86.9Confident1 Ų152.4 Ų52.41%0.00726%0.257CS..Hα-helixtrans-64.9-27-179.3-176.10000113.2R84 K85 V86 R92 M107 F110R84-C88 WeakPolarHBondContact O-CB 3.35Å; R84-C88 PolarHBondContact O-N 3.01Å; K85-C88 PolarHBondContact O-N 3.07Å; V86-C88 PolarHBondContact O-N 3.48Å; C88-R92 WeakPolarHBondContact O-CB 3.46Å; C88-M107 HydrophobicContact CB-CE 3.56Å; C88-M107 HydrophobicContact CB-SD 3.67Å; C88-F110 HydrophobicContact CB-CD2 3.87Å; C88-F110 HydrophobicContact CB-CE2 3.59Å; C88-F110 HydrophobicContact CB-CZ 4.43Å
89T90.1Very high85.3Confident76 Ų7648 Ų4847%0.46625%0.253SS..Hα-helixtrans-77-55.5175-55.10000110.7K85 V86 T87 L91 R92 E93K85-T89 PolarHBondContact O-N 3.03Å; K85-T89 VanDerWaalsContact O-N 3.1Å; K85-T89 PolarHBondContact O-OG1 2.9Å; K85-T89 VanDerWaalsContact O-OG1 3.09Å; V86-T89 PolarHBondContact O-N 3.22Å; T87-T89 PolarHBondContact O-N 3.15Å; T89-L91 PolarHBondContact O-N 3.25Å; T89-R92 WeakPolarHBondContact O-CA 3.32Å; T89-R92 VanDerWaalsContact O-CB 3.29Å; T89-R92 WeakPolarHBondContact O-CB 3.3Å; T89-R92 PolarHBondContact O-N 3.39Å; T89-E93 PolarHBondContact O-N 2.93Å; T89-E93 VanDerWaalsContact O-N 3.12Å
90W91Very high83.8Confident10 Ų1055.2 Ų55.24%0.03829%0.29CS..Hα-helixtrans-65.1-37.5-177.1-171.86.2000112.4L56 N60 R63 F64 Y68 V86 T87 R92 E93 I94L56-W90 HydrophobicContact CB-CE3 4.46Å; L56-W90 HydrophobicContact CB-CH2 3.93Å; L56-W90 HydrophobicContact CB-CZ3 3.89Å; L56-W90 HydrophobicContact CD1-CD2 4.44Å; L56-W90 HydrophobicContact CD1-CE3 3.94Å; L56-W90 HydrophobicContact CD1-CZ3 4.16Å; L56-W90 HydrophobicContact CD2-CD2 4.11Å; L56-W90 HydrophobicContact CD2-CE3 4.26Å; L56-W90 HydrophobicContact CD2-CH2 4.33Å; L56-W90 HydrophobicContact CD2-CZ2 4.2Å; L56-W90 HydrophobicContact CD2-CZ3 4.38Å; L56-W90 HydrophobicContact CG-CE3 4.47Å; L56-W90 HydrophobicContact CG-CZ3 4.37Å; N60-W90 HydrophobicContact CB-CH2 4.41Å; N60-W90 HydrophobicContact CB-CZ2 4.16Å; R63-W90 HydrophobicContact CB-CH2 4.02Å; R63-W90 HydrophobicContact CB-CZ2 4.24Å; R63-W90 HydrophobicContact CG-CE3 4.44Å; R63-W90 HydrophobicContact CG-CH2 3.93Å; R63-W90 HydrophobicContact CG-CZ2 4.02Å; R63-W90 HydrophobicContact CG-CZ3 4.13Å; R63-W90 VanDerWaalsContact CZ-CD1 3.46Å; F64-W90 HydrophobicContact CB-CH2 4.2Å; F64-W90 HydrophobicContact CB-CZ3 4.17Å; F64-W90 HydrophobicContact CD2-CZ3 4.22Å; Y68-W90 HydrophobicContact CD2-CZ3 4.48Å; Y68-W90 AromaticContact CE2-CE3 3.86Å; Y68-W90 HydrophobicContact CE2-CE3 3.86Å; Y68-W90 AromaticContact CE2-CZ3 3.86Å; Y68-W90 HydrophobicContact CE2-CZ3 3.86Å; V86-W90 PolarHBondContact O-N 2.99Å; T87-W90 PolarHBondContact O-N 2.87Å; W90-R92 PolarHBondContact O-N 3.47Å; W90-E93 PolarHBondContact O-N 3.18Å; W90-I94 HydrophobicContact CG-CD1 4.34Å; W90-I94 WeakPolarHBondContact O-CG1 3.39Å; W90-I94 PolarHBondContact O-N 3.42Å; W90-I94 VanDerWaalsContact O-N 3.11Å
91L88.3Confident82.3Confident2 Ų255.9 Ų55.91%0.0130%0.296CS..Hα-helixtrans-67.3-22.7173-65.6-174.8000113.4L56 T87 T89 I94 M95 V105 F110 L125L56-L91 HydrophobicContact CD2-CD2 4.13Å; T87-L91 HydrophobicContact CG2-CD1 3.54Å; T87-L91 HydrophobicContact CG2-CG 3.96Å; T87-L91 VanDerWaalsContact O-CB 3.27Å; T87-L91 WeakPolarHBondContact O-CB 3.46Å; T87-L91 VanDerWaalsContact O-CG 3.24Å; T87-L91 WeakPolarHBondContact O-CG 3.1Å; T87-L91 PolarHBondContact O-N 3.45Å; T89-L91 PolarHBondContact O-N 3.25Å; L91-I94 HydrophobicContact CD2-CD1 4.29Å; L91-M95 WeakPolarHBondContact O-CB 3.47Å; L91-M95 VanDerWaalsContact O-CG 3.26Å; L91-M95 WeakPolarHBondContact O-CG 3.35Å; L91-M95 PolarHBondContact O-N 2.9Å; L91-V105 HydrophobicContact CB-CG1 4.41Å; L91-F110 HydrophobicContact CD1-CE1 3.86Å; L91-F110 HydrophobicContact CD1-CZ 3.86Å; L91-L125 HydrophobicContact CD2-CD1 3.59Å; L91-L125 HydrophobicContact CD2-CD2 3.56Å; L91-L125 HydrophobicContact CD2-CG 4.06Å
92R88.3Confident80.6Confident121 Ų12157.3 Ų57.346%0.45732%0.316SS..Hα-helixtrans-73.7-48.1172.7-173.9-176.9-54.9-159.3-1110.7C88 T89 W90 I94 M95 D96 V105C88-R92 WeakPolarHBondContact O-CB 3.46Å; T89-R92 WeakPolarHBondContact O-CA 3.32Å; T89-R92 VanDerWaalsContact O-CB 3.29Å; T89-R92 WeakPolarHBondContact O-CB 3.3Å; T89-R92 PolarHBondContact O-N 3.39Å; W90-R92 PolarHBondContact O-N 3.47Å; R92-I94 VanDerWaalsContact C-N 3.34Å; R92-I94 PolarHBondContact O-N 3.37Å; R92-M95 CarbonylContact O-C 3.52Å; R92-M95 PolarHBondContact O-N 3.35Å; R92-D96 WeakPolarHBondContact CG-OD2 3.27Å; R92-D96 PolarHBondContact O-N 2.97Å; R92-V105 HydrophobicContact CB-CB 4.35Å; R92-V105 PolarHBondContact NH2-O 3.39Å
93E88.1Confident79.4Confident64 Ų6455.2 Ų55.230%0.29931%0.31SS..Hα-helixtrans-52.4-51.4175.6-63.2164-133.600111.3R63 T89 W90 M95 D96 E97R63-E93 IonicContact CZ-OE2 3.31Å; R63-E93 IonicContact NH1-OE2 2.68Å; R63-E93 PolarHBondContact NH1-OE2 3.33Å; R63-E93 IonicContact NH2-OE1 2.74Å; R63-E93 PolarHBondContact NH2-OE1 2.95Å; R63-E93 IonicContact NH2-OE2 3.85Å; R63-E93 PolarHBondContact NH2-OE2 2.89Å; T89-E93 PolarHBondContact O-N 2.93Å; T89-E93 VanDerWaalsContact O-N 3.12Å; W90-E93 PolarHBondContact O-N 3.18Å; E93-M95 PolarHBondContact O-N 3.38Å; E93-D96 PolarHBondContact O-N 3.2Å; E93-E97 WeakPolarHBondContact O-CB 3.31Å; E93-E97 WeakPolarHBondContact O-CG 3.43Å; E93-E97 PolarHBondContact O-N 3.07Å
94I86.2Confident78.4Confident7 Ų764.2 Ų64.24%0.03635%0.349CS..Hα-helixtrans-57.9-32.7177.9-67.8162.9000112.3L56 L59 W90 L91 R92 M98 L125 H128L56-I94 HydrophobicContact CD2-CD1 4.04Å; L59-I94 HydrophobicContact CD2-CD1 3.53Å; L59-I94 HydrophobicContact CD2-CG1 4.25Å; W90-I94 HydrophobicContact CG-CD1 4.34Å; W90-I94 WeakPolarHBondContact O-CG1 3.39Å; W90-I94 PolarHBondContact O-N 3.42Å; W90-I94 VanDerWaalsContact O-N 3.11Å; L91-I94 HydrophobicContact CD2-CD1 4.29Å; R92-I94 VanDerWaalsContact C-N 3.34Å; R92-I94 PolarHBondContact O-N 3.37Å; I94-M98 VanDerWaalsContact O-CB 3.29Å; I94-M98 WeakPolarHBondContact O-CB 3.31Å; I94-M98 WeakPolarHBondContact O-CG 3.44Å; I94-M98 PolarHBondContact O-N 2.95Å; I94-M98 VanDerWaalsContact O-N 3.08Å; I94-L125 HydrophobicContact CD1-CD1 4.07Å; I94-H128 HydrophobicContact CG2-CB 4.47Å; I94-H128 WeakPolarHBondContact CG2-ND1 3.32Å
95M82.7Confident77.8Confident21 Ų2163.8 Ų63.810%0.10335%0.349CS..Hα-helixtrans-88.5-24.9-179-71.1-169.575.700114.1L91 R92 E93 M98 A101 S103 V105 L121 Y124L91-M95 WeakPolarHBondContact O-CB 3.47Å; L91-M95 VanDerWaalsContact O-CG 3.26Å; L91-M95 WeakPolarHBondContact O-CG 3.35Å; L91-M95 PolarHBondContact O-N 2.9Å; R92-M95 CarbonylContact O-C 3.52Å; R92-M95 PolarHBondContact O-N 3.35Å; E93-M95 PolarHBondContact O-N 3.38Å; M95-M98 CarbonylContact O-C 3.41Å; M95-A101 HydrophobicContact CE-CB 3.66Å; M95-A101 WeakPolarHBondContact CE-O 3.44Å; M95-S103 WeakPolarHBondContact CE-O 3.32Å; M95-V105 HydrophobicContact CB-CG2 4.35Å; M95-V105 HydrophobicContact CG-CG2 4.26Å; M95-V105 HydrophobicContact SD-CG2 3.39Å; M95-V105 WeakPolarHBondContact SD-CG2 3.27Å; M95-L121 HydrophobicContact CE-CD1 4.38Å; M95-L121 HydrophobicContact SD-CD1 3.26Å; M95-L121 WeakPolarHBondContact SD-CD1 3.44Å; M95-Y124 HydrophobicContact CE-CD2 4.48Å
96D81.8Confident77.3Confident118 Ų11862.5 Ų62.563%0.63135%0.349SS*.Hα-helixtrans-76.4-33.8170.6-66.5-21.2000110.1R92 E93R92-D96 WeakPolarHBondContact CG-OD2 3.27Å; R92-D96 PolarHBondContact O-N 2.97Å; E93-D96 PolarHBondContact O-N 3.2Å
97E78.3Confident76.9Confident137 Ų13764.7 Ų64.764%0.6436%0.358SS*.Hα-helixtrans-63.4-44.5166.3-73.7174.3177.700111.9E93 A99E93-E97 WeakPolarHBondContact O-CB 3.31Å; E93-E97 WeakPolarHBondContact O-CG 3.43Å; E93-E97 PolarHBondContact O-N 3.07Å; E97-A99 PolarHBondContact O-N 3.16Å
98M69.6Low76.6Confident64 Ų6468.1 Ų68.132%0.31538%0.382SS..SBendtrans-78.966.8176.1-71.7-74.7-79.900111.3I94 M95 N100 A101 H128I94-M98 VanDerWaalsContact O-CB 3.29Å; I94-M98 WeakPolarHBondContact O-CB 3.31Å; I94-M98 WeakPolarHBondContact O-CG 3.44Å; I94-M98 PolarHBondContact O-N 2.95Å; I94-M98 VanDerWaalsContact O-N 3.08Å; M95-M98 CarbonylContact O-C 3.41Å; M98-N100 PolarHBondContact O-N 2.86Å; M98-A101 HydrophobicContact CB-CB 4.23Å; M98-A101 WeakPolarHBondContact O-CB 3.3Å; M98-A101 PolarHBondContact O-N 3.21Å; M98-H128 HydrophobicContact CE-CB 4.44Å
99A53.7Low76.3Confident85 Ų8569.7 Ų69.770%0.70239%0.39SS*.THydrogen-bonded Turntrans-52.26.9-166.200000119.7E97E97-A99 PolarHBondContact O-N 3.16Å
100N55.1Low76Confident165 Ų16566.1 Ų66.188%0.88237%0.368SS*.THydrogen-bonded Turntrans-125.74.1172.1-74.5-70.9000113.9M98 G102M98-N100 PolarHBondContact O-N 2.86Å; N100-G102 PolarHBondContact O-N 2.96Å
101A54.7Low75.6Confident20 Ų2070.8 Ų70.817%0.16539%0.393CS..  trans-79.878.4-174.400000112.4M95 M98 S103M95-A101 HydrophobicContact CE-CB 3.66Å; M95-A101 WeakPolarHBondContact CE-O 3.44Å; M98-A101 HydrophobicContact CB-CB 4.23Å; M98-A101 WeakPolarHBondContact O-CB 3.3Å; M98-A101 PolarHBondContact O-N 3.21Å; A101-S103 PolarHBondContact O-N 3.4Å
102G53.4Low75.4Confident75 Ų7573.6 Ų73.677%0.77341%0.413SS*.  trans-62.421.6-169.500000119.5N100N100-G102 PolarHBondContact O-N 2.96Å
103S62.2Low75.1Confident37 Ų3767.9 Ų67.926%0.25939%0.392SS..  trans-109.890.9175.9-70.10000111.7M95 A101 V105M95-S103 WeakPolarHBondContact CE-O 3.32Å; A101-S103 PolarHBondContact O-N 3.4Å; S103-V105 PolarHBondContact O-N 3.49Å
104K71.1Confident74.9Confident190 Ų19065.7 Ų65.783%0.82639%0.387SS*.  trans-52.9126179.4-65.3-172.2177.2-173.20112.2V106K104-V106 PolarHBondContact O-N 3.35Å
105V78.6Confident74.9Confident13 Ų1366.2 Ų66.28%0.07939%0.394CS..  trans-74.9109.5177.9-173.50000110.4L91 R92 M95 S103 F110 L121L91-V105 HydrophobicContact CB-CG1 4.41Å; R92-V105 HydrophobicContact CB-CB 4.35Å; R92-V105 PolarHBondContact NH2-O 3.39Å; M95-V105 HydrophobicContact CB-CG2 4.35Å; M95-V105 HydrophobicContact CG-CG2 4.26Å; M95-V105 HydrophobicContact SD-CG2 3.39Å; M95-V105 WeakPolarHBondContact SD-CG2 3.27Å; S103-V105 PolarHBondContact O-N 3.49Å; V105-F110 HydrophobicContact CG1-CE2 3.8Å; V105-F110 HydrophobicContact CG1-CZ 3.91Å; V105-L121 HydrophobicContact CG2-CD1 4Å
106V80.7Confident74.9Confident72 Ų7268.8 Ų68.844%0.43641%0.412SS..  trans-117134.6179.6-170.50000110.2K104 S108 L109K104-V106 PolarHBondContact O-N 3.35Å; V106-S108 WeakPolarHBondContact CG1-OG 3.29Å; V106-S108 PolarHBondContact O-N 3.41Å; V106-L109 WeakPolarHBondContact O-CB 3.15Å; V106-L109 WeakPolarHBondContact O-CG 3.14Å; V106-L109 PolarHBondContact O-N 2.8Å
107M81.9Confident75.1Confident81 Ų8170.5 Ų70.540%0.39941%0.414SS..THydrogen-bonded Turntrans-51.6-32.4-177.7-166.364.869.700113.7C88 L109 F110C88-M107 HydrophobicContact CB-CE 3.56Å; C88-M107 HydrophobicContact CB-SD 3.67Å; M107-L109 PolarHBondContact O-N 3.13Å; M107-F110 PolarHBondContact O-N 3.14Å; M107-F110 VanDerWaalsContact O-N 3.08Å
108S83.5Confident75.5Confident71 Ų7164 Ų6450%0.49738%0.383SS..Hα-helixtrans-61.5-25.2178.454.10000114.2V106 F110 L111V106-S108 WeakPolarHBondContact CG1-OG 3.29Å; V106-S108 PolarHBondContact O-N 3.41Å; S108-F110 PolarHBondContact O-N 3.17Å; S108-L111 PolarHBondContact O-N 2.93Å
109L82.1Confident76.4Confident34 Ų3461 Ų6118%0.17837%0.369CS..Hα-helixtrans-64.6-28.9174.9-63174.8000112.2V106 M107 S112 P113 K117 F118 L121V106-L109 WeakPolarHBondContact O-CB 3.15Å; V106-L109 WeakPolarHBondContact O-CG 3.14Å; V106-L109 PolarHBondContact O-N 2.8Å; M107-L109 PolarHBondContact O-N 3.13Å; L109-S112 CarbonylContact O-C 3.49Å; L109-P113 WeakPolarHBondContact O-CA 3.35Å; L109-K117 HydrophobicContact CD2-CB 3.96Å; L109-F118 HydrophobicContact CB-CD2 4.45Å; L109-L121 HydrophobicContact CD1-CD2 4.03Å
110F84.6Confident78.1Confident1 Ų158 Ų580%0.00434%0.342CS..Hα-helixtrans-91.7-11.8179.7-49.7-76.4000113.1F48 R84 T87 C88 L91 V105 M107 S108 S112 F118 L121F48-F110 AromaticContact CE2-CD1 3.69Å; F48-F110 HydrophobicContact CE2-CD1 3.69Å; F48-F110 HydrophobicContact CE2-CE1 4.13Å; F48-F110 HydrophobicContact CZ-CB 4.45Å; F48-F110 AromaticContact CZ-CD1 3.66Å; F48-F110 HydrophobicContact CZ-CD1 3.66Å; F48-F110 HydrophobicContact CZ-CE1 4.43Å; F48-F110 HydrophobicContact CZ-CG 4.44Å; R84-F110 HydrophobicContact CB-CB 4.06Å; R84-F110 WeakPolarHBondContact CD-O 3.4Å; R84-F110 HydrophobicContact CG-CB 3.91Å; T87-F110 HydrophobicContact CG2-CD1 4.34Å; T87-F110 HydrophobicContact CG2-CE1 3.91Å; T87-F110 HydrophobicContact CG2-CZ 4.39Å; C88-F110 HydrophobicContact CB-CD2 3.87Å; C88-F110 HydrophobicContact CB-CE2 3.59Å; C88-F110 HydrophobicContact CB-CZ 4.43Å; L91-F110 HydrophobicContact CD1-CE1 3.86Å; L91-F110 HydrophobicContact CD1-CZ 3.86Å; V105-F110 HydrophobicContact CG1-CE2 3.8Å; V105-F110 HydrophobicContact CG1-CZ 3.91Å; M107-F110 PolarHBondContact O-N 3.14Å; M107-F110 VanDerWaalsContact O-N 3.08Å; S108-F110 PolarHBondContact O-N 3.17Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-F118 HydrophobicContact CD1-CE2 4.16Å; F110-F118 HydrophobicContact CE1-CE2 4.36Å; F110-L121 HydrophobicContact CE1-CD2 4.14Å; F110-L121 HydrophobicContact CZ-CD2 3.83Å
111L83Confident79.6Confident108 Ų10850.3 Ų50.357%0.56530%0.301SS*.Hα-helixtrans-67.7-34.4171.2-63.7179.9000111.5S108S108-L111 PolarHBondContact O-N 2.93Å
112S83.8Confident81.3Confident62 Ų6249.3 Ų49.343%0.43429%0.293SS..SBendtrans-13977.5179.4170.20000109.4P43 L109 F110 G114P43-S112 WeakPolarHBondContact CB-OG 3.4Å; P43-S112 VanDerWaalsContact CG-OG 3.23Å; P43-S112 WeakPolarHBondContact CG-OG 3.34Å; L109-S112 CarbonylContact O-C 3.49Å; F110-S112 VanDerWaalsContact C-N 3.3Å; S112-G114 PolarHBondContact O-N 2.97Å
113P82.3Confident83.1Confident1 Ų147 Ų471%0.00626%0.263CS..  trans-67.794.9-171.926.6-34.3000111.9P43 N44 K45 F48 L109 F118P43-P113 WeakPolarHBondContact CA-O 3.37Å; N44-P113 PolarHBondContact N-O 3.43Å; K45-P113 HydrophobicContact CG-CG 4.14Å; F48-P113 HydrophobicContact CB-CB 3.66Å; F48-P113 HydrophobicContact CB-CG 3.9Å; F48-P113 HydrophobicContact CD1-CB 4.14Å; F48-P113 HydrophobicContact CD1-CG 4.05Å; F48-P113 HydrophobicContact CG-CB 3.85Å; F48-P113 HydrophobicContact CG-CG 4.17Å; L109-P113 WeakPolarHBondContact O-CA 3.35Å; P113-F118 HydrophobicContact CB-CD2 4.11Å; P113-F118 HydrophobicContact CB-CE1 4.02Å; P113-F118 HydrophobicContact CB-CE2 3.55Å; P113-F118 HydrophobicContact CB-CZ 3.51Å
114G83.4Confident84.3Confident18 Ų1850 Ų5019%0.18627%0.269CS..  trans175.1172.1-177.200000112.9F40 S112 F118F40-G114 CarbonylContact O-C 3.34Å; F40-G114 WeakPolarHBondContact O-CA 3.47Å; S112-G114 PolarHBondContact O-N 2.97Å; G114-F118 WeakPolarHBondContact O-CB 3.41Å
115G85.7Confident85.2Confident18 Ų1841.3 Ų41.319%0.18623%0.232CC..SBendtrans80.9175.2-178.100000114.3F40 K117 F118 V119F40-G115 PolarHBondContact O-N 3.2Å; G115-K117 PolarHBondContact O-N 3.45Å; G115-F118 PolarHBondContact O-N 3.39Å; G115-V119 WeakPolarHBondContact O-CG2 3.35Å; G115-V119 PolarHBondContact O-N 3.09Å
116P83.7Confident85.8Confident74 Ų7440.7 Ų40.748%0.48123%0.228SC..Hα-helixtrans-67.6-36.3-161.524.3-32.8000113.9Q9 S120Q9-P116 HydrophobicContact CB-CB 4.21Å; Q9-P116 HydrophobicContact CG-CB 4.15Å; P116-S120 WeakPolarHBondContact O-CB 3.29Å; P116-S120 PolarHBondContact O-N 3.18Å
117K85.1Confident86.2Confident155 Ų15539.7 Ų39.767%0.67422%0.222SC*.Hα-helixtrans-66.6-41.4177.5-66.2-174.4178.4-177.40111.8L109 G115 S120 L121L109-K117 HydrophobicContact CD2-CB 3.96Å; G115-K117 PolarHBondContact O-N 3.45Å; K117-S120 PolarHBondContact O-N 3.33Å; K117-L121 WeakPolarHBondContact O-CB 3.43Å; K117-L121 PolarHBondContact O-N 3.18Å
118F87.8Confident86.5Confident0 Ų036.4 Ų36.40%021%0.206CC..Hα-helixtrans-68.2-43.3177-177.6-89.1000111.7F40 F48 L109 F110 P113 G114 G115 S120 L121 M122F40-F118 HydrophobicContact CB-CD1 4.26Å; F40-F118 HydrophobicContact CD1-CD1 4.05Å; F40-F118 AromaticContact CD1-CE1 3.56Å; F40-F118 HydrophobicContact CD1-CE1 3.56Å; F40-F118 HydrophobicContact CD2-CD1 4.35Å; F40-F118 AromaticContact CD2-CE1 3.99Å; F40-F118 HydrophobicContact CD2-CE1 3.99Å; F40-F118 AromaticContact CE1-CE1 3.62Å; F40-F118 HydrophobicContact CE1-CE1 3.62Å; F40-F118 HydrophobicContact CE1-CZ 4.31Å; F40-F118 HydrophobicContact CE2-CE1 4.04Å; F40-F118 AromaticContact CG-CD1 3.97Å; F40-F118 HydrophobicContact CG-CD1 3.97Å; F40-F118 AromaticContact CG-CE1 3.77Å; F40-F118 HydrophobicContact CG-CE1 3.77Å; F40-F118 AromaticContact CZ-CE1 3.87Å; F40-F118 HydrophobicContact CZ-CE1 3.87Å; F48-F118 HydrophobicContact CB-CZ 4.04Å; F48-F118 HydrophobicContact CD2-CE2 4.05Å; F48-F118 AromaticContact CD2-CZ 3.64Å; F48-F118 HydrophobicContact CD2-CZ 3.64Å; F48-F118 HydrophobicContact CE2-CE2 4.45Å; F48-F118 HydrophobicContact CE2-CZ 4.44Å; F48-F118 HydrophobicContact CG-CZ 4.08Å; L109-F118 HydrophobicContact CB-CD2 4.45Å; F110-F118 HydrophobicContact CD1-CE2 4.16Å; F110-F118 HydrophobicContact CE1-CE2 4.36Å; P113-F118 HydrophobicContact CB-CD2 4.11Å; P113-F118 HydrophobicContact CB-CE1 4.02Å; P113-F118 HydrophobicContact CB-CE2 3.55Å; P113-F118 HydrophobicContact CB-CZ 3.51Å; G114-F118 WeakPolarHBondContact O-CB 3.41Å; G115-F118 PolarHBondContact O-N 3.39Å; F118-S120 VanDerWaalsContact C-N 3.32Å; F118-S120 PolarHBondContact O-N 2.9Å; F118-L121 WeakPolarHBondContact O-CB 3.39Å; F118-L121 PolarHBondContact O-N 2.85Å; F118-M122 HydrophobicContact CD1-CG 4.1Å; F118-M122 HydrophobicContact CE1-CG 3.57Å; F118-M122 HydrophobicContact CE2-CG 4.33Å; F118-M122 HydrophobicContact CE2-SD 4.5Å; F118-M122 HydrophobicContact CZ-CG 3.69Å; F118-M122 HydrophobicContact CZ-SD 4.06Å; F118-M122 WeakPolarHBondContact O-CG 3.46Å; F118-M122 PolarHBondContact O-N 3.05Å
119V88.8Confident86.8Confident2 Ų233.1 Ų33.11%0.01218%0.183CC..Hα-helixtrans-59-43.3174.11720000111.3N12 F40 G115 M122 L123N12-V119 HydrophobicContact CB-CG1 3.74Å; F40-V119 HydrophobicContact CB-CG2 3.64Å; G115-V119 WeakPolarHBondContact O-CG2 3.35Å; G115-V119 PolarHBondContact O-N 3.09Å; V119-M122 PolarHBondContact O-N 3.22Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 PolarHBondContact O-N 3.03Å
120S87.9Confident87.1Confident21 Ų2134.4 Ų34.415%0.14719%0.188CC..Hα-helixtrans-66.3-40.5177.7-152.70000112.6P116 K117 F118 L123 Y124P116-S120 WeakPolarHBondContact O-CB 3.29Å; P116-S120 PolarHBondContact O-N 3.18Å; K117-S120 PolarHBondContact O-N 3.33Å; F118-S120 VanDerWaalsContact C-N 3.32Å; F118-S120 PolarHBondContact O-N 2.9Å; S120-L123 PolarHBondContact O-N 3.32Å; S120-Y124 WeakPolarHBondContact O-CD2 3.41Å; S120-Y124 PolarHBondContact O-N 3.45Å
121L88.5Confident87.1Confident3 Ų338.5 Ų38.52%0.01621%0.208CC..Hα-helixtrans-58.7-49.7174.6170.660.6000111.7M95 V105 L109 F110 K117 F118 L123 Y124 L125M95-L121 HydrophobicContact CE-CD1 4.38Å; M95-L121 HydrophobicContact SD-CD1 3.26Å; M95-L121 WeakPolarHBondContact SD-CD1 3.44Å; V105-L121 HydrophobicContact CG2-CD1 4Å; L109-L121 HydrophobicContact CD1-CD2 4.03Å; F110-L121 HydrophobicContact CE1-CD2 4.14Å; F110-L121 HydrophobicContact CZ-CD2 3.83Å; K117-L121 WeakPolarHBondContact O-CB 3.43Å; K117-L121 PolarHBondContact O-N 3.18Å; F118-L121 WeakPolarHBondContact O-CB 3.39Å; F118-L121 PolarHBondContact O-N 2.85Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.06Å; L121-Y124 PolarHBondContact O-N 3.4Å; L121-L125 PolarHBondContact O-N 3.23Å
122M90.1Very high87.2Confident0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-67.2-31.5178.7-65.9-54.2-63.800112.5L16 V51 T52 L55 F118 V119 L125 A126L16-M122 HydrophobicContact CD1-CB 4.1Å; L16-M122 HydrophobicContact CD2-CB 3.75Å; V51-M122 HydrophobicContact CB-CE 4.43Å; V51-M122 HydrophobicContact CG1-CE 3.68Å; T52-M122 VanDerWaalsContact OG1-CE 3.29Å; T52-M122 WeakPolarHBondContact OG1-CE 3.08Å; L55-M122 HydrophobicContact CD1-CE 4.02Å; F118-M122 HydrophobicContact CD1-CG 4.1Å; F118-M122 HydrophobicContact CE1-CG 3.57Å; F118-M122 HydrophobicContact CE2-CG 4.33Å; F118-M122 HydrophobicContact CE2-SD 4.5Å; F118-M122 HydrophobicContact CZ-CG 3.69Å; F118-M122 HydrophobicContact CZ-SD 4.06Å; F118-M122 WeakPolarHBondContact O-CG 3.46Å; F118-M122 PolarHBondContact O-N 3.05Å; V119-M122 PolarHBondContact O-N 3.22Å; M122-L125 HydrophobicContact CE-CD2 4.02Å; M122-L125 HydrophobicContact SD-CD2 4.42Å; M122-A126 WeakPolarHBondContact O-CB 3.46Å; M122-A126 PolarHBondContact O-N 3.44Å
123L89.7Confident87.2Confident26 Ų2635.9 Ų35.914%0.13619%0.187CC..Hα-helixtrans-66.9-45.8172.5177.956.4000111.7N12 L16 V119 S120 L121 L125 A126 T127N12-L123 HydrophobicContact CB-CD2 4.04Å; L16-L123 HydrophobicContact CB-CB 4.38Å; L16-L123 HydrophobicContact CB-CD1 4.37Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 PolarHBondContact O-N 3.03Å; S120-L123 PolarHBondContact O-N 3.32Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.06Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.31Å; L123-A126 PolarHBondContact O-N 3.04Å; L123-T127 PolarHBondContact O-N 3.45Å; L123-T127 PolarHBondContact O-OG1 2.96Å; L123-T127 VanDerWaalsContact O-OG1 3.09Å
124Y88.7Confident87.1Confident101 Ų10142 Ų4240%0.39622%0.217SC..Hα-helixtrans-59.7-41.3174.9-77.6-60.7000112.1M95 S120 L121 T127 H128M95-Y124 HydrophobicContact CE-CD2 4.48Å; S120-Y124 WeakPolarHBondContact O-CD2 3.41Å; S120-Y124 PolarHBondContact O-N 3.45Å; L121-Y124 PolarHBondContact O-N 3.4Å; Y124-T127 PolarHBondContact O-N 2.94Å; Y124-H128 WeakPolarHBondContact O-CB 3.42Å; Y124-H128 PolarHBondContact O-N 3.45Å
125L89.9Confident87Confident6 Ų647.8 Ų47.83%0.03124%0.237CC..Hα-helixtrans-59.3-52.6172.6178.463.4000111.2L55 L56 L91 I94 L121 M122 L123 T127 H128 V129L55-L125 HydrophobicContact CB-CD2 3.88Å; L55-L125 HydrophobicContact CB-CG 4.15Å; L55-L125 HydrophobicContact CD1-CB 4.46Å; L55-L125 HydrophobicContact CD1-CD2 3.72Å; L55-L125 HydrophobicContact CD1-CG 3.94Å; L55-L125 HydrophobicContact CG-CD2 4.46Å; L56-L125 HydrophobicContact CD2-CD1 4.11Å; L91-L125 HydrophobicContact CD2-CD1 3.59Å; L91-L125 HydrophobicContact CD2-CD2 3.56Å; L91-L125 HydrophobicContact CD2-CG 4.06Å; I94-L125 HydrophobicContact CD1-CD1 4.07Å; L121-L125 PolarHBondContact O-N 3.23Å; M122-L125 HydrophobicContact CE-CD2 4.02Å; M122-L125 HydrophobicContact SD-CD2 4.42Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.31Å; L125-T127 VanDerWaalsContact C-N 3.32Å; L125-T127 PolarHBondContact O-N 2.64Å; L125-H128 PolarHBondContact O-N 3.16Å; L125-H128 VanDerWaalsContact O-N 3.1Å; L125-V129 HydrophobicContact CD1-CG2 4.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.4Å; L125-V129 PolarHBondContact O-N 2.71Å
126A91.8Very high86.4Confident0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-59-42-179.800000112.3L16 A19 L55 M122 L123 V129 M130L16-A126 HydrophobicContact CD1-CB 4.01Å; A19-A126 HydrophobicContact CB-CB 3.88Å; L55-A126 HydrophobicContact CD1-CB 4.04Å; L55-A126 HydrophobicContact CD2-CB 4.05Å; M122-A126 WeakPolarHBondContact O-CB 3.46Å; M122-A126 PolarHBondContact O-N 3.44Å; L123-A126 PolarHBondContact O-N 3.04Å; A126-V129 PolarHBondContact O-N 3.41Å; A126-M130 WeakPolarHBondContact O-CG 3.16Å; A126-M130 PolarHBondContact O-N 3.25Å
127T88.9Confident85.4Confident52 Ų5254.6 Ų54.632%0.31926%0.263SS..Hα-helixtrans-63.2-39.9174.2-58.20000112.3L123 Y124 L125 M130 Q131L123-T127 PolarHBondContact O-N 3.45Å; L123-T127 PolarHBondContact O-OG1 2.96Å; L123-T127 VanDerWaalsContact O-OG1 3.09Å; Y124-T127 PolarHBondContact O-N 2.94Å; L125-T127 VanDerWaalsContact C-N 3.32Å; L125-T127 PolarHBondContact O-N 2.64Å; T127-M130 PolarHBondContact O-N 3.39Å; T127-Q131 WeakPolarHBondContact O-CB 3.43Å; T127-Q131 VanDerWaalsContact O-CG 3.29Å; T127-Q131 WeakPolarHBondContact O-CG 3.39Å; T127-Q131 PolarHBondContact O-N 3.46Å
128H87.9Confident84Confident12 Ų1253.8 Ų53.86%0.05627%0.271CS..Hα-helixtrans-64.7-43.7174.8179.6-114.4000111.8I94 M98 Y124 L125 M130 Q131 Q132I94-H128 HydrophobicContact CG2-CB 4.47Å; I94-H128 WeakPolarHBondContact CG2-ND1 3.32Å; M98-H128 HydrophobicContact CE-CB 4.44Å; Y124-H128 WeakPolarHBondContact O-CB 3.42Å; Y124-H128 PolarHBondContact O-N 3.45Å; L125-H128 PolarHBondContact O-N 3.16Å; L125-H128 VanDerWaalsContact O-N 3.1Å; H128-M130 PolarHBondContact O-N 2.92Å; H128-Q131 PolarHBondContact O-N 2.85Å; H128-Q131 VanDerWaalsContact O-N 3.14Å; H128-Q132 PolarHBondContact NE2-NE2 3.2Å; H128-Q132 WeakPolarHBondContact O-CG 3.38Å; H128-Q132 PolarHBondContact O-N 3.35Å
129V89.9Confident82.4Confident2 Ų258 Ų581%0.01230%0.297CS..Hα-helixtrans-59.8-47.7175.7-179.20000110.6L23 L55 K58 L59 L125 A126 Q131 Q132 D133L23-V129 HydrophobicContact CD1-CB 4.07Å; L23-V129 HydrophobicContact CD1-CG1 3.87Å; L23-V129 HydrophobicContact CD2-CG1 3.97Å; L55-V129 HydrophobicContact CB-CG2 4.25Å; L55-V129 HydrophobicContact CD2-CB 4.31Å; L55-V129 HydrophobicContact CD2-CG2 4.21Å; L55-V129 WeakPolarHBondContact O-CG2 3.48Å; K58-V129 HydrophobicContact CB-CG1 4Å; L59-V129 HydrophobicContact CB-CG2 4.06Å; L59-V129 HydrophobicContact CD1-CG2 4.32Å; L59-V129 HydrophobicContact CD2-CG2 4.46Å; L125-V129 HydrophobicContact CD1-CG2 4.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.4Å; L125-V129 PolarHBondContact O-N 2.71Å; A126-V129 PolarHBondContact O-N 3.41Å; V129-Q131 VanDerWaalsContact C-N 3.31Å; V129-Q131 PolarHBondContact O-N 3.04Å; V129-Q132 PolarHBondContact O-N 2.89Å; V129-Q132 VanDerWaalsContact O-N 3.16Å; V129-D133 WeakPolarHBondContact O-CB 3.2Å; V129-D133 PolarHBondContact O-N 2.95Å
130M87.8Confident80.7Confident60 Ų6063.5 Ų63.530%0.29633%0.326SS..Hα-helixtrans-56.3-43173.3-70.1178.68100112.2A19 L23 A126 T127 H128 Q132 D133 M134A19-M130 HydrophobicContact CB-SD 3.61Å; L23-M130 HydrophobicContact CD1-CG 3.91Å; L23-M130 HydrophobicContact CD2-CB 4.45Å; L23-M130 HydrophobicContact CD2-CG 3.75Å; L23-M130 HydrophobicContact CG-CG 3.68Å; A126-M130 WeakPolarHBondContact O-CG 3.16Å; A126-M130 PolarHBondContact O-N 3.25Å; T127-M130 PolarHBondContact O-N 3.39Å; H128-M130 PolarHBondContact O-N 2.92Å; M130-Q132 VanDerWaalsContact C-N 3.32Å; M130-Q132 PolarHBondContact O-N 3.03Å; M130-D133 PolarHBondContact O-N 3.44Å; M130-M134 WeakPolarHBondContact O-CB 3.31Å; M130-M134 WeakPolarHBondContact O-CG 3.35Å; M130-M134 PolarHBondContact O-N 3.48Å
131Q85.3Confident79.2Confident87 Ų8770.8 Ų70.841%0.40736%0.355SS..Hα-helixtrans-68.1-26.1179.5-77175.7-6.800114T127 H128 V129 K135T127-Q131 WeakPolarHBondContact O-CB 3.43Å; T127-Q131 VanDerWaalsContact O-CG 3.29Å; T127-Q131 WeakPolarHBondContact O-CG 3.39Å; T127-Q131 PolarHBondContact O-N 3.46Å; H128-Q131 PolarHBondContact O-N 2.85Å; H128-Q131 VanDerWaalsContact O-N 3.14Å; V129-Q131 VanDerWaalsContact C-N 3.31Å; V129-Q131 PolarHBondContact O-N 3.04Å; Q131-K135 VanDerWaalsContact O-CE 3.3Å; Q131-K135 WeakPolarHBondContact O-CE 3.45Å; Q131-K135 WeakPolarHBondContact O-CG 3.36Å
132Q84.5Confident77.5Confident68 Ų6873.7 Ų73.732%0.31838%0.376SS..Hα-helixtrans-83.5-42.7173.7-60-67.47.800110.9L59 H128 V129 M130 M134 K135 T136L59-Q132 HydrophobicContact CD1-CB 4.22Å; L59-Q132 HydrophobicContact CD1-CG 3.98Å; H128-Q132 PolarHBondContact NE2-NE2 3.2Å; H128-Q132 WeakPolarHBondContact O-CG 3.38Å; H128-Q132 PolarHBondContact O-N 3.35Å; V129-Q132 PolarHBondContact O-N 2.89Å; V129-Q132 VanDerWaalsContact O-N 3.16Å; M130-Q132 VanDerWaalsContact C-N 3.32Å; M130-Q132 PolarHBondContact O-N 3.03Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 2.58Å; Q132-K135 WeakPolarHBondContact O-CB 3.49Å; Q132-K135 PolarHBondContact O-N 3.44Å; Q132-T136 PolarHBondContact O-N 2.75Å
133D83.5Confident75.7Confident47 Ų4782.2 Ų82.225%0.25141%0.408SS..Hα-helixtrans-55.7-47.9173.7-159.162.6000110.2L23 V129 M130 K135 T136 F137L23-D133 HydrophobicContact CD2-CB 4.3Å; V129-D133 WeakPolarHBondContact O-CB 3.2Å; V129-D133 PolarHBondContact O-N 2.95Å; M130-D133 PolarHBondContact O-N 3.44Å; D133-K135 PolarHBondContact O-N 3Å; D133-K135 VanDerWaalsContact O-N 3.1Å; D133-T136 PolarHBondContact O-N 3.44Å; D133-T136 PolarHBondContact O-OG1 3.15Å; D133-F137 VanDerWaalsContact O-CD2 3.23Å; D133-F137 WeakPolarHBondContact O-CD2 3.47Å; D133-F137 PolarHBondContact O-N 3.05Å
134M81.1Confident74Confident130 Ų13083 Ų8364%0.6442%0.419SS*.Hα-helixtrans-59.1-17.9173.4-75.1-179.875.900115.4M130 Q132M130-M134 WeakPolarHBondContact O-CB 3.31Å; M130-M134 WeakPolarHBondContact O-CG 3.35Å; M130-M134 PolarHBondContact O-N 3.48Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 2.58Å
135K79.5Confident72.4Confident140 Ų14081.3 Ų81.361%0.60942%0.42SS*.Hα-helixtrans-88.1-22.8171.8-66.2168-160.2167.50113Q131 Q132 D133 F137Q131-K135 VanDerWaalsContact O-CE 3.3Å; Q131-K135 WeakPolarHBondContact O-CE 3.45Å; Q131-K135 WeakPolarHBondContact O-CG 3.36Å; Q132-K135 WeakPolarHBondContact O-CB 3.49Å; Q132-K135 PolarHBondContact O-N 3.44Å; D133-K135 PolarHBondContact O-N 3Å; D133-K135 VanDerWaalsContact O-N 3.1Å; K135-F137 VanDerWaalsContact C-N 3.34Å
136T73.4Confident70.6Confident104 Ų10489.3 Ų89.364%0.63846%0.457SS*.Hα-helixtrans-75.5-27.1175.468.20000112Q132 D133 V138Q132-T136 PolarHBondContact O-N 2.75Å; D133-T136 PolarHBondContact O-N 3.44Å; D133-T136 PolarHBondContact O-OG1 3.15Å; T136-V138 PolarHBondContact O-N 3.46Å
137F63.6Low68.8Low130 Ų13091.4 Ų91.457%0.5747%0.474SS*.SBendtrans-67.2102.3163.4-64.1-78000108.9D133 K135 T139D133-F137 VanDerWaalsContact O-CD2 3.23Å; D133-F137 WeakPolarHBondContact O-CD2 3.47Å; D133-F137 PolarHBondContact O-N 3.05Å; K135-F137 VanDerWaalsContact C-N 3.34Å; F137-T139 PolarHBondContact O-N 3.23Å
138V54.7Low67Low138 Ų13893.2 Ų93.284%0.83650%0.495SS*.  trans-63.594.4156.7178.50000105.9T136 D140T136-V138 PolarHBondContact O-N 3.46Å; V138-D140 PolarHBondContact O-N 3.28Å
139T54.2Low65.5Low89 Ų8997.4 Ų97.455%0.54653%0.531SS..  trans-68.382.1172.7-550000108.1F137 K141 W143F137-T139 PolarHBondContact O-N 3.23Å; T139-K141 PolarHBondContact O-N 3.1Å; T139-W143 HydrophobicContact CG2-CB 3.77Å
140D54.4Low64.2Low117 Ų117102.5 Ų102.563%0.62656%0.558SS**  trans-44.8138.1153.8-170.927.2000107.6V138 S142 W143V138-D140 PolarHBondContact O-N 3.28Å; D140-S142 PolarHBondContact O-N 3.39Å; D140-S142 PolarHBondContact O-OG 3.43Å; D140-W143 PolarHBondContact O-N 3.32Å
141K54.9Low63Low174 Ų174105.1 Ų105.176%0.75758%0.579SS**THydrogen-bonded Turntrans-69.810.3-162.6-61.7-176.3-178.7-177.40113.8T139 L164T139-K141 PolarHBondContact O-N 3.1Å; K141-L164 WeakPolarHBondContact O-CD1 3.45Å
142S53.4Low62.2Low65 Ų65102.7 Ų102.746%0.45557%0.574SS.*THydrogen-bonded Turntrans-68-27.6172.5590000113.8D140 A144 R168D140-S142 PolarHBondContact O-N 3.39Å; D140-S142 PolarHBondContact O-OG 3.43Å; S142-A144 PolarHBondContact O-N 3.04Å; S142-R168 PolarHBondContact O-NH2 3Å
143W53.6Low61.6Low179 Ų179105 Ų10568%0.67860%0.598SS**  trans-72.4122.4178.8-168.879.7000112.3T139 D140 P145T139-W143 HydrophobicContact CG2-CB 3.77Å; D140-W143 PolarHBondContact O-N 3.32Å; W143-P145 HydrophobicContact CE3-CG 4.33Å; W143-P145 HydrophobicContact CH2-CB 4.09Å; W143-P145 HydrophobicContact CH2-CG 4Å; W143-P145 HydrophobicContact CZ3-CB 4.23Å; W143-P145 HydrophobicContact CZ3-CG 3.62Å
144A53.5Low61.4Low43 Ų43105.8 Ų105.836%0.35561%0.605SS.*  trans-114.8130.2174.400000109.8S142 E146 L164S142-A144 PolarHBondContact O-N 3.04Å; A144-E146 PolarHBondContact O-N 3.11Å; A144-L164 HydrophobicContact CB-CD2 4.03Å
145P53.9Low61.5Low65 Ų65104.8 Ų104.842%0.42261%0.608SS.*  trans-57.3129.8165.5-16.126.1000109.4W143 R161W143-P145 HydrophobicContact CE3-CG 4.33Å; W143-P145 HydrophobicContact CH2-CB 4.09Å; W143-P145 HydrophobicContact CH2-CG 4Å; W143-P145 HydrophobicContact CZ3-CB 4.23Å; W143-P145 HydrophobicContact CZ3-CG 3.62Å; P145-R161 PolarHBondContact O-NH2 2.95Å
146E52.8Low61.6Low174 Ų174104.6 Ų104.681%0.81361%0.609SS**SBendtrans-53.8151.7-157-159.1168-173.700115.3A144 R161A144-E146 PolarHBondContact O-N 3.11Å; E146-R161 PolarHBondContact O-NH2 3.36Å
147A52.9Low61.8Low43 Ų43102.9 Ų102.936%0.35560%0.595SS.*  trans54.5102.2-176.300000115.7A149 L150 R161A147-A149 PolarHBondContact O-N 3.36Å; A147-A149 VanDerWaalsContact O-N 3.17Å; A147-L150 HydrophobicContact CB-CB 4.12Å; A147-L150 HydrophobicContact CB-CD1 3.94Å; A147-L150 HydrophobicContact CB-CG 3.72Å; A147-L150 PolarHBondContact O-N 2.92Å; A147-R161 PolarHBondContact O-NH1 2.97Å; A147-R161 PolarHBondContact O-NH2 3.23Å
148A52.5Low62.6Low91 Ų9198.7 Ų98.775%0.75259%0.585SS**THydrogen-bonded Turntrans-58.4-19.8160.300000112.8
149A55.8Low63.9Low99 Ų9996 Ų9682%0.81857%0.568SS**THydrogen-bonded Turntrans-80.1-11.9174.400000114.7A147A147-A149 PolarHBondContact O-N 3.36Å; A147-A149 VanDerWaalsContact O-N 3.17Å
150L62.5Low65.2Low109 Ų10996.4 Ų96.457%0.57156%0.564SS**SBendtrans-84.6134.9174.2-77.5177.1000110.8A147 A152 R161A147-L150 HydrophobicContact CB-CB 4.12Å; A147-L150 HydrophobicContact CB-CD1 3.94Å; A147-L150 HydrophobicContact CB-CG 3.72Å; A147-L150 PolarHBondContact O-N 2.92Å; L150-A152 PolarHBondContact O-N 2.86Å; L150-R161 PolarHBondContact O-NH1 3.22Å
151P63.7Low66.4Low115 Ų11593 Ų9375%0.74754%0.542SS*.PPolyproline II helixtrans-53.3129.7174.5-26.835000112.3S153P151-S153 PolarHBondContact O-N 3.39Å
152A68.1Low67.8Low36 Ų3690.2 Ų90.230%0.29854%0.535SS..PPolyproline II helixtrans-68.2124.3178.800000110.6L150 T154 I157 A158L150-A152 PolarHBondContact O-N 2.86Å; A152-T154 PolarHBondContact O-N 3.48Å; A152-I157 HydrophobicContact CB-CB 4.39Å; A152-I157 HydrophobicContact CB-CG2 4.14Å; A152-A158 HydrophobicContact CB-CB 3.79Å
153S72.1Confident69.3Low117 Ų11790.7 Ų90.782%0.81853%0.532SS*.SBendtrans-67.5-15.7-175.8-420000114.2P151P151-S153 PolarHBondContact O-N 3.39Å
154T78.4Confident70.7Confident64 Ų6483.9 Ų83.939%0.39351%0.509SS..SBendtrans-142.6152.117369.80000110.3A152 H156 I157 A158A152-T154 PolarHBondContact O-N 3.48Å; T154-H156 VanDerWaalsContact C-N 3.28Å; T154-H156 PolarHBondContact O-N 3.43Å; T154-I157 PolarHBondContact O-N 2.83Å; T154-I157 VanDerWaalsContact O-N 3.15Å; T154-I157 WeakPolarHBondContact OG1-CD1 3.29Å; T154-I157 WeakPolarHBondContact OG1-CG1 3.39Å; T154-I157 PolarHBondContact OG1-N 2.92Å; T154-A158 PolarHBondContact O-N 2.9Å
155P83.1Confident72.1Confident109 Ų10985.8 Ų85.871%0.70852%0.516SS*.Hα-helixtrans-63.6-31.4179.624.4-34.2000112.9I157 A158 V159P155-I157 VanDerWaalsContact C-N 3.32Å; P155-I157 PolarHBondContact O-N 3.4Å; P155-A158 WeakPolarHBondContact O-CB 3.18Å; P155-A158 PolarHBondContact O-N 2.77Å; P155-A158 VanDerWaalsContact O-N 3.15Å; P155-V159 PolarHBondContact O-N 2.83Å
156H81.9Confident73.7Confident135 Ų13590.5 Ų90.563%0.62553%0.525SS*.Hα-helixtrans-60.7-40.8174.3-174.6-53.8000111.9T154 A158 V159 E160T154-H156 VanDerWaalsContact C-N 3.28Å; T154-H156 PolarHBondContact O-N 3.43Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.42Å; H156-V159 PolarHBondContact O-N 3.47Å; H156-E160 PolarHBondContact O-N 3.02Å; H156-E160 VanDerWaalsContact O-N 3.08Å
157I77.9Confident75.3Confident68 Ų6885.9 Ų85.935%0.34951%0.512SS..Hα-helixtrans-68.8-31.6177.2-68.2168.7000110.7A152 T154 P155 R161A152-I157 HydrophobicContact CB-CB 4.39Å; A152-I157 HydrophobicContact CB-CG2 4.14Å; T154-I157 PolarHBondContact O-N 2.83Å; T154-I157 VanDerWaalsContact O-N 3.15Å; T154-I157 WeakPolarHBondContact OG1-CD1 3.29Å; T154-I157 WeakPolarHBondContact OG1-CG1 3.39Å; T154-I157 PolarHBondContact OG1-N 2.92Å; P155-I157 VanDerWaalsContact C-N 3.32Å; P155-I157 PolarHBondContact O-N 3.4Å; I157-R161 HydrophobicContact CG2-CG 4.48Å; I157-R161 WeakPolarHBondContact O-CB 3.41Å; I157-R161 VanDerWaalsContact O-CG 3.24Å; I157-R161 WeakPolarHBondContact O-CG 3.5Å; I157-R161 PolarHBondContact O-N 3.06Å
158A79.8Confident77Confident43 Ų4390.3 Ų90.336%0.35552%0.52SS..Hα-helixtrans-65.7-44.2173.600000112.3A152 T154 P155 H156 R161 L162A152-A158 HydrophobicContact CB-CB 3.79Å; T154-A158 PolarHBondContact O-N 2.9Å; P155-A158 WeakPolarHBondContact O-CB 3.18Å; P155-A158 PolarHBondContact O-N 2.77Å; P155-A158 VanDerWaalsContact O-N 3.15Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.42Å; A158-R161 PolarHBondContact O-N 3.04Å; A158-L162 WeakPolarHBondContact O-CB 3.41Å; A158-L162 PolarHBondContact O-N 3.07Å
159V83.3Confident78.8Confident80 Ų8092.8 Ų92.849%0.48551%0.514SS..Hα-helixtrans-64.3-45.9178.2173.10000111.3P155 H156 R161 L162 N163P155-V159 PolarHBondContact O-N 2.83Å; H156-V159 PolarHBondContact O-N 3.47Å; V159-R161 PolarHBondContact O-N 2.89Å; V159-L162 PolarHBondContact O-N 2.94Å; V159-N163 WeakPolarHBondContact O-CB 3.34Å; V159-N163 VanDerWaalsContact O-CG 3.27Å; V159-N163 PolarHBondContact O-N 3.34Å; V159-N163 PolarHBondContact O-ND2 3.05Å
160E80.7Confident80.6Confident98 Ų9892.3 Ų92.346%0.45850%0.497SS..Hα-helixtrans-66-36.4177.9-73.1-57.9100.400112.8H156 N163 L164H156-E160 PolarHBondContact O-N 3.02Å; H156-E160 VanDerWaalsContact O-N 3.08Å; E160-N163 PolarHBondContact O-N 3.36Å; E160-N163 PolarHBondContact OE1-ND2 3.11Å; E160-L164 WeakPolarHBondContact O-CB 3.29Å; E160-L164 PolarHBondContact O-N 3.48Å
161R79.3Confident82.1Confident47 Ų4793.7 Ų93.718%0.17750%0.498CS..Hα-helixtrans-61.5-44.5170.7-79.3173162.4-161.2-10.4111.9P145 E146 A147 L150 I157 A158 V159 L164 V165P145-R161 PolarHBondContact O-NH2 2.95Å; E146-R161 PolarHBondContact O-NH2 3.36Å; A147-R161 PolarHBondContact O-NH1 2.97Å; A147-R161 PolarHBondContact O-NH2 3.23Å; L150-R161 PolarHBondContact O-NH1 3.22Å; I157-R161 HydrophobicContact CG2-CG 4.48Å; I157-R161 WeakPolarHBondContact O-CB 3.41Å; I157-R161 VanDerWaalsContact O-CG 3.24Å; I157-R161 WeakPolarHBondContact O-CG 3.5Å; I157-R161 PolarHBondContact O-N 3.06Å; A158-R161 PolarHBondContact O-N 3.04Å; V159-R161 PolarHBondContact O-N 2.89Å; R161-L164 PolarHBondContact O-N 2.85Å; R161-V165 WeakPolarHBondContact O-CB 3.3Å; R161-V165 WeakPolarHBondContact O-CG2 3.28Å; R161-V165 PolarHBondContact O-N 3.07Å
162L84Confident83.4Confident115 Ų11590.5 Ų90.560%0.60248%0.481SS*.Hα-helixtrans-63.1-44.6176.5178.461.7000111.6A158 V159 L164 V165 R166A158-L162 WeakPolarHBondContact O-CB 3.41Å; A158-L162 PolarHBondContact O-N 3.07Å; V159-L162 PolarHBondContact O-N 2.94Å; L162-L164 PolarHBondContact O-N 3.22Å; L162-V165 PolarHBondContact O-N 2.95Å; L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 PolarHBondContact O-N 2.92Å
163N85.1Confident84.7Confident74 Ų7490.5 Ų90.540%0.39648%0.481SS..Hα-helixtrans-60.1-44.3177-72.3-23.1000111.6V159 E160 S167V159-N163 WeakPolarHBondContact O-CB 3.34Å; V159-N163 VanDerWaalsContact O-CG 3.27Å; V159-N163 PolarHBondContact O-N 3.34Å; V159-N163 PolarHBondContact O-ND2 3.05Å; E160-N163 PolarHBondContact O-N 3.36Å; E160-N163 PolarHBondContact OE1-ND2 3.11Å; N163-S167 VanDerWaalsContact O-CB 3.27Å; N163-S167 WeakPolarHBondContact O-CB 3.46Å; N163-S167 PolarHBondContact O-N 3.02Å
164L82.9Confident85.9Confident36 Ų3689.5 Ų89.519%0.18847%0.47CS..Hα-helixtrans-65.8-46.2177.3178.655.6000112.5K141 A144 E160 R161 L162 S167 R168K141-L164 WeakPolarHBondContact O-CD1 3.45Å; A144-L164 HydrophobicContact CB-CD2 4.03Å; E160-L164 WeakPolarHBondContact O-CB 3.29Å; E160-L164 PolarHBondContact O-N 3.48Å; R161-L164 PolarHBondContact O-N 2.85Å; L162-L164 PolarHBondContact O-N 3.22Å; L164-S167 PolarHBondContact O-N 2.93Å; L164-R168 HydrophobicContact CD1-CG 4.19Å; L164-R168 WeakPolarHBondContact O-CB 3.3Å; L164-R168 WeakPolarHBondContact O-CG 3.37Å; L164-R168 PolarHBondContact O-N 3.33Å
165V83.6Confident86.6Confident83 Ų8390.3 Ų90.350%0.50347%0.472SS..Hα-helixtrans-62.9-44.8177.31710000110.7R161 L162 S167 R168 F169R161-V165 WeakPolarHBondContact O-CB 3.3Å; R161-V165 WeakPolarHBondContact O-CG2 3.28Å; R161-V165 PolarHBondContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 2.95Å; V165-S167 PolarHBondContact O-N 3.22Å; V165-R168 PolarHBondContact O-N 3.33Å; V165-F169 WeakPolarHBondContact O-CB 3.43Å; V165-F169 PolarHBondContact O-N 3.2Å
166R86.9Confident87.2Confident165 Ų16591.4 Ų91.462%0.62347%0.468SS*.Hα-helixtrans-60.3-44.2175.5-177179.9-179.8-1761.2111.8L162 F169 L170L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 PolarHBondContact O-N 2.92Å; R166-F169 PolarHBondContact O-N 2.76Å; R166-L170 HydrophobicContact CG-CD1 3.89Å; R166-L170 HydrophobicContact CG-CG 4.39Å; R166-L170 WeakPolarHBondContact O-CB 3.4Å; R166-L170 VanDerWaalsContact O-CG 3.27Å; R166-L170 WeakPolarHBondContact O-CG 3.3Å; R166-L170 PolarHBondContact O-N 3.24Å
167S87.6Confident88Confident76 Ų7689.2 Ų89.253%0.53146%0.461SS..Hα-helixtrans-64-44.2178.3178.20000112.1N163 L164 V165 K171N163-S167 VanDerWaalsContact O-CB 3.27Å; N163-S167 WeakPolarHBondContact O-CB 3.46Å; N163-S167 PolarHBondContact O-N 3.02Å; L164-S167 PolarHBondContact O-N 2.93Å; V165-S167 PolarHBondContact O-N 3.22Å; S167-K171 WeakPolarHBondContact O-CB 3.25Å; S167-K171 PolarHBondContact O-N 3.39Å
168R86.9Confident88.9Confident136 Ų13693.8 Ų93.851%0.51347%0.474SS..Hα-helixtrans-62.5-45174.8-73175.2175-148.42.9112.2S142 L164 V165 K171 A172S142-R168 PolarHBondContact O-NH2 3Å; L164-R168 HydrophobicContact CD1-CG 4.19Å; L164-R168 WeakPolarHBondContact O-CB 3.3Å; L164-R168 WeakPolarHBondContact O-CG 3.37Å; L164-R168 PolarHBondContact O-N 3.33Å; V165-R168 PolarHBondContact O-N 3.33Å; R168-K171 PolarHBondContact O-N 3.35Å; R168-A172 WeakPolarHBondContact O-CB 3.46Å; R168-A172 PolarHBondContact O-N 3.39Å
169F91.5Very high89.8Confident144 Ų14498.2 Ų98.263%0.63249%0.485SS*.Hα-helixtrans-62.6-49178.1176.2-96.8000111.8V165 R166 K171 A172 A173V165-F169 WeakPolarHBondContact O-CB 3.43Å; V165-F169 PolarHBondContact O-N 3.2Å; R166-F169 PolarHBondContact O-N 2.76Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.02Å; F169-A172 PolarHBondContact O-N 3.09Å; F169-A173 WeakPolarHBondContact O-CB 3.36Å; F169-A173 PolarHBondContact O-N 3.02Å
170L94Very high90.4Very high89 Ų8999.6 Ų99.647%0.46649%0.489SS..Hα-helixtrans-60.6-40.8177.4-73.4171.2000111.8R166 A173 V174R166-L170 HydrophobicContact CG-CD1 3.89Å; R166-L170 HydrophobicContact CG-CG 4.39Å; R166-L170 WeakPolarHBondContact O-CB 3.4Å; R166-L170 VanDerWaalsContact O-CG 3.27Å; R166-L170 WeakPolarHBondContact O-CG 3.3Å; R166-L170 PolarHBondContact O-N 3.24Å; L170-A173 PolarHBondContact O-N 3Å; L170-V174 VanDerWaalsContact O-CG2 3.31Å; L170-V174 WeakPolarHBondContact O-CG2 3.26Å; L170-V174 PolarHBondContact O-N 2.7Å
171K92.3Very high91.3Very high138 Ų13899.3 Ų99.360%0.649%0.488SS*.Hα-helixtrans-61.7-50.2174.3-179.6174.3177.7-176.80111.4S167 R168 F169 A173 V174 D175S167-K171 WeakPolarHBondContact O-CB 3.25Å; S167-K171 PolarHBondContact O-N 3.39Å; R168-K171 PolarHBondContact O-N 3.35Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.02Å; K171-A173 VanDerWaalsContact C-N 3.3Å; K171-A173 PolarHBondContact O-N 2.94Å; K171-V174 PolarHBondContact O-N 3Å; K171-D175 WeakPolarHBondContact CE-OD2 3.44Å; K171-D175 WeakPolarHBondContact CG-OD2 3.44Å; K171-D175 WeakPolarHBondContact O-CB 3.31Å; K171-D175 PolarHBondContact O-N 3.24Å
172A92.3Very high92.1Very high47 Ų4799.4 Ų99.439%0.38849%0.492SS..Hα-helixtrans-59.6-40.5179.700000112.3R168 F169 D175 Q176R168-A172 WeakPolarHBondContact O-CB 3.46Å; R168-A172 PolarHBondContact O-N 3.39Å; F169-A172 PolarHBondContact O-N 3.09Å; A172-D175 PolarHBondContact O-N 2.72Å; A172-Q176 WeakPolarHBondContact O-CB 3.45Å; A172-Q176 VanDerWaalsContact O-CG 3.25Å; A172-Q176 WeakPolarHBondContact O-CG 3.37Å; A172-Q176 PolarHBondContact O-N 2.99Å
173A95Very high92.8Very high36 Ų36101.4 Ų101.430%0.29849%0.492SS..Hα-helixtrans-64.6-43176.100000112.5F169 L170 K171 Q176 D177F169-A173 WeakPolarHBondContact O-CB 3.36Å; F169-A173 PolarHBondContact O-N 3.02Å; L170-A173 PolarHBondContact O-N 3Å; K171-A173 VanDerWaalsContact C-N 3.3Å; K171-A173 PolarHBondContact O-N 2.94Å; A173-Q176 PolarHBondContact O-N 2.89Å; A173-D177 WeakPolarHBondContact O-CB 3.29Å; A173-D177 PolarHBondContact O-N 2.91Å
174V96.7Very high93.4Very high96 Ų96102.3 Ų102.358%0.58249%0.494SS*.Hα-helixtrans-67.2-39.6176.3169.60000111.9L170 K171 Q176 R178L170-V174 VanDerWaalsContact O-CG2 3.31Å; L170-V174 WeakPolarHBondContact O-CG2 3.26Å; L170-V174 PolarHBondContact O-N 2.7Å; K171-V174 PolarHBondContact O-N 3Å; V174-Q176 VanDerWaalsContact C-N 3.33Å; V174-R178 VanDerWaalsContact O-CB 3.3Å; V174-R178 WeakPolarHBondContact O-CB 3.44Å; V174-R178 PolarHBondContact O-N 3.46Å
175D94.8Very high94.1Very high82 Ų82107.7 Ų107.744%0.43951%0.512SS..Hα-helixtrans-66.6-35176.2-71.3-28.7000111.2K171 A172 F179K171-D175 WeakPolarHBondContact CE-OD2 3.44Å; K171-D175 WeakPolarHBondContact CG-OD2 3.44Å; K171-D175 WeakPolarHBondContact O-CB 3.31Å; K171-D175 PolarHBondContact O-N 3.24Å; A172-D175 PolarHBondContact O-N 2.72Å; D175-F179 WeakPolarHBondContact O-CB 3.49Å; D175-F179 PolarHBondContact O-N 2.8Å
176Q95.8Very high94.8Very high131 Ų131112.5 Ų112.561%0.61252%0.521SS*.Hα-helixtrans-70.3-47.2173.4-77.8174.2-22.600113.1A172 A173 V174 R178 F179 L180A172-Q176 WeakPolarHBondContact O-CB 3.45Å; A172-Q176 VanDerWaalsContact O-CG 3.25Å; A172-Q176 WeakPolarHBondContact O-CG 3.37Å; A172-Q176 PolarHBondContact O-N 2.99Å; A173-Q176 PolarHBondContact O-N 2.89Å; V174-Q176 VanDerWaalsContact C-N 3.33Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-R178 PolarHBondContact O-N 3.3Å; Q176-F179 WeakPolarHBondContact O-CB 3.37Å; Q176-F179 PolarHBondContact O-N 3.45Å; Q176-F179 VanDerWaalsContact O-N 3.11Å; Q176-L180 WeakPolarHBondContact O-CG 3.33Å; Q176-L180 PolarHBondContact O-N 3.45Å
177D97.3Very high95.3Very high90 Ų90106.6 Ų106.648%0.48151%0.508SS..Hα-helixtrans-58.7-46.1177.417875.6000111.4A173 F179 L180 H181A173-D177 WeakPolarHBondContact O-CB 3.29Å; A173-D177 PolarHBondContact O-N 2.91Å; D177-F179 VanDerWaalsContact C-N 3.31Å; D177-F179 PolarHBondContact O-N 2.99Å; D177-L180 PolarHBondContact O-N 3.28Å; D177-H181 PolarHBondContact O-N 3.15Å; D177-H181 IonicContact OD2-CD2 2.66Å
178R97.4Very high95.8Very high163 Ų163108.4 Ų108.462%0.61551%0.508SS*.Hα-helixtrans-56.7-43.4172.6179.3179.7174.2168.52.3112.4V174 Q176 H181 D182V174-R178 VanDerWaalsContact O-CB 3.3Å; V174-R178 WeakPolarHBondContact O-CB 3.44Å; V174-R178 PolarHBondContact O-N 3.46Å; Q176-R178 VanDerWaalsContact C-N 3.34Å; Q176-R178 PolarHBondContact O-N 3.3Å; R178-H181 PolarHBondContact O-N 3.05Å; R178-D182 WeakPolarHBondContact O-CB 3.29Å; R178-D182 PolarHBondContact O-N 3.35Å
179F97.6Very high96.4Very high136 Ų136104.9 Ų104.960%0.59651%0.508SS*.Hα-helixtrans-63.6-41.6178175.7-93.6000111.9D175 Q176 D177 D182 Y183D175-F179 WeakPolarHBondContact O-CB 3.49Å; D175-F179 PolarHBondContact O-N 2.8Å; Q176-F179 WeakPolarHBondContact O-CB 3.37Å; Q176-F179 PolarHBondContact O-N 3.45Å; Q176-F179 VanDerWaalsContact O-N 3.11Å; D177-F179 VanDerWaalsContact C-N 3.31Å; D177-F179 PolarHBondContact O-N 2.99Å; F179-D182 PolarHBondContact O-N 3.27Å; F179-Y183 WeakPolarHBondContact O-CB 3.29Å; F179-Y183 PolarHBondContact O-N 2.86Å
180L97.8Very high96.7Very high109 Ų109103.1 Ų103.157%0.57150%0.504SS*.Hα-helixtrans-62.2-44.1175.1-68.6170.6000111.6Q176 D177 Y183 Q184Q176-L180 WeakPolarHBondContact O-CG 3.33Å; Q176-L180 PolarHBondContact O-N 3.45Å; D177-L180 PolarHBondContact O-N 3.28Å; L180-Y183 PolarHBondContact O-N 3.45Å; L180-Q184 WeakPolarHBondContact O-CB 3.48Å; L180-Q184 PolarHBondContact O-N 2.89Å
181H97.8Very high96.9Very high93 Ų93102.7 Ų102.743%0.43151%0.505SS..Hα-helixtrans-68.7-31.4175.3-84.2-44.7000114.1D177 R178 Q184 R185D177-H181 PolarHBondContact O-N 3.15Å; D177-H181 IonicContact OD2-CD2 2.66Å; R178-H181 PolarHBondContact O-N 3.05Å; H181-Q184 PolarHBondContact ND1-OE1 2.89Å; H181-R185 WeakPolarHBondContact O-CB 3.23Å; H181-R185 WeakPolarHBondContact O-CG 3.35Å; H181-R185 PolarHBondContact O-N 2.92Å; H181-R185 PolarHBondContact O-NE 3.35Å
182D97.6Very high97.2Very high48 Ų48102 Ų10226%0.25750%0.502SS..Hα-helixtrans-68.8-39.5170.6-84.8-24.9000111.2R178 F179 R185 R186R178-D182 WeakPolarHBondContact O-CB 3.29Å; R178-D182 PolarHBondContact O-N 3.35Å; F179-D182 PolarHBondContact O-N 3.27Å; D182-R185 IonicContact OD1-CZ 3.54Å; D182-R185 IonicContact OD1-NH1 3.44Å; D182-R185 IonicContact OD1-NH2 2.58Å; D182-R185 PolarHBondContact OD1-NH2 3.45Å; D182-R186 VanDerWaalsContact O-CG 3.31Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 2.92Å
183Y97.8Very high97.4Very high157 Ų157102.3 Ų102.362%0.61650%0.502SS*.Hα-helixtrans-65.5-47.7175.1-175.8-97.2000112F179 L180 R185 R186 A187F179-Y183 WeakPolarHBondContact O-CB 3.29Å; F179-Y183 PolarHBondContact O-N 2.86Å; L180-Y183 PolarHBondContact O-N 3.45Å; Y183-R185 VanDerWaalsContact C-N 3.33Å; Y183-R185 PolarHBondContact O-N 2.88Å; Y183-R186 WeakPolarHBondContact O-CB 3.37Å; Y183-R186 PolarHBondContact O-N 3.23Å; Y183-R186 VanDerWaalsContact O-N 3.12Å; Y183-A187 PolarHBondContact O-N 3.45Å
184Q98.3Very high97.6Very high93 Ų93105.3 Ų105.344%0.43551%0.511SS..Hα-helixtrans-57.9-43.2178.1-169.5-175.329.300111.8L180 H181 A187 Q188L180-Q184 WeakPolarHBondContact O-CB 3.48Å; L180-Q184 PolarHBondContact O-N 2.89Å; H181-Q184 PolarHBondContact ND1-OE1 2.89Å; Q184-A187 PolarHBondContact O-N 3.47Å; Q184-Q188 WeakPolarHBondContact O-CG 3.49Å; Q184-Q188 PolarHBondContact O-N 3.45Å
185R98.1Very high97.6Very high149 Ų149107.7 Ų107.756%0.56251%0.509SS*.Hα-helixtrans-63.7-39.6175.4-79.7-175.6-75.7157.8-7.1112.8H181 D182 Y183 Q188 A189H181-R185 WeakPolarHBondContact O-CB 3.23Å; H181-R185 WeakPolarHBondContact O-CG 3.35Å; H181-R185 PolarHBondContact O-N 2.92Å; H181-R185 PolarHBondContact O-NE 3.35Å; D182-R185 IonicContact OD1-CZ 3.54Å; D182-R185 IonicContact OD1-NH1 3.44Å; D182-R185 IonicContact OD1-NH2 2.58Å; D182-R185 PolarHBondContact OD1-NH2 3.45Å; Y183-R185 VanDerWaalsContact C-N 3.33Å; Y183-R185 PolarHBondContact O-N 2.88Å; R185-Q188 PolarHBondContact O-N 2.97Å; R185-A189 WeakPolarHBondContact O-CB 3.49Å; R185-A189 PolarHBondContact O-N 2.74Å
186R98Very high97.7Very high184 Ų184107.5 Ų107.569%0.69451%0.508SS*.Hα-helixtrans-64.7-43.9175.1-69.5171.1-168.7-1494.5111.7D182 Y183 A189 L190D182-R186 VanDerWaalsContact O-CG 3.31Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 2.92Å; Y183-R186 WeakPolarHBondContact O-CB 3.37Å; Y183-R186 PolarHBondContact O-N 3.23Å; Y183-R186 VanDerWaalsContact O-N 3.12Å; R186-A189 PolarHBondContact O-N 3.29Å; R186-L190 PolarHBondContact O-N 3.02Å
187A97.8Very high97.8Very high42 Ų42106.7 Ų106.735%0.34751%0.507SS..Hα-helixtrans-61.2-45.2176.200000111.9Y183 Q184 A189 L190 V191Y183-A187 PolarHBondContact O-N 3.45Å; Q184-A187 PolarHBondContact O-N 3.47Å; A187-A189 PolarHBondContact O-N 3.32Å; A187-L190 PolarHBondContact O-N 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.35Å; A187-V191 PolarHBondContact O-N 3.47Å
188Q98.3Very high97.8Very high114 Ų114109.3 Ų109.353%0.53351%0.514SS..Hα-helixtrans-61.7-40.9175.6-73.1173.1-4.700112.7Q184 R185 V191 K192Q184-Q188 WeakPolarHBondContact O-CG 3.49Å; Q184-Q188 PolarHBondContact O-N 3.45Å; R185-Q188 PolarHBondContact O-N 2.97Å; Q188-V191 PolarHBondContact O-N 3.16Å; Q188-K192 PolarHBondContact O-N 3.5Å
189A97.9Very high97.8Very high61 Ų61105.3 Ų105.350%0.50451%0.508SS..Hα-helixtrans-63.7-42.2175.800000112.1R185 R186 A187 K192 S193R185-A189 WeakPolarHBondContact O-CB 3.49Å; R185-A189 PolarHBondContact O-N 2.74Å; R186-A189 PolarHBondContact O-N 3.29Å; A187-A189 PolarHBondContact O-N 3.32Å; A189-K192 WeakPolarHBondContact O-CB 3.46Å; A189-K192 PolarHBondContact O-N 2.68Å; A189-S193 PolarHBondContact O-N 2.85Å
190L98.1Very high97.7Very high107 Ų107101.9 Ų101.956%0.5650%0.496SS*.Hα-helixtrans-63.6-46.5175.1-175.264.2000111.6R186 A187 K192 S193 M194R186-L190 PolarHBondContact O-N 3.02Å; A187-L190 PolarHBondContact O-N 3.24Å; L190-K192 PolarHBondContact O-N 2.74Å; L190-S193 PolarHBondContact O-N 2.81Å; L190-S193 VanDerWaalsContact O-N 3.13Å; L190-M194 HydrophobicContact CG-SD 4.46Å; L190-M194 WeakPolarHBondContact O-CG 3.48Å; L190-M194 PolarHBondContact O-N 3.35Å
191V98.3Very high97.7Very high81 Ų8198.2 Ų98.249%0.49148%0.484SS..Hα-helixtrans-64.6-25.7176.6171.70000112.4A187 Q188 R195A187-V191 WeakPolarHBondContact O-CG2 3.35Å; A187-V191 PolarHBondContact O-N 3.47Å; Q188-V191 PolarHBondContact O-N 3.16Å; V191-R195 PolarHBondContact O-NE 3.2Å
192K97.9Very high97.6Very high122 Ų12296.6 Ų96.653%0.5348%0.484SS..Hα-helixtrans-70.9-53.7167.6-169.7-169.1169.3-173.80110.9Q188 A189 L190 M194 R195 D196Q188-K192 PolarHBondContact O-N 3.5Å; A189-K192 WeakPolarHBondContact O-CB 3.46Å; A189-K192 PolarHBondContact O-N 2.68Å; L190-K192 PolarHBondContact O-N 2.74Å; K192-M194 VanDerWaalsContact C-N 3.28Å; K192-M194 PolarHBondContact O-N 3.27Å; K192-R195 WeakPolarHBondContact O-CA 3.46Å; K192-R195 WeakPolarHBondContact O-CB 3.41Å; K192-R195 PolarHBondContact O-N 3.3Å; K192-D196 WeakPolarHBondContact CE-OD2 3.14Å; K192-D196 PolarHBondContact O-N 3.08Å
193S97.9Very high97.5Very high55 Ų5599.4 Ų99.439%0.38549%0.494SS..Hα-helixtrans-54.8-41.1178.8177.60000112.8A189 L190 R195 D196 L197A189-S193 PolarHBondContact O-N 2.85Å; L190-S193 PolarHBondContact O-N 2.81Å; L190-S193 VanDerWaalsContact O-N 3.13Å; S193-R195 VanDerWaalsContact C-N 3.29Å; S193-R195 PolarHBondContact O-N 3.06Å; S193-D196 PolarHBondContact O-N 3.29Å; S193-L197 WeakPolarHBondContact O-CB 3.29Å; S193-L197 WeakPolarHBondContact O-CG 3.26Å; S193-L197 PolarHBondContact O-N 3.34Å
194M97.6Very high97.3Very high98 Ų9899.8 Ų99.848%0.48350%0.495SS..Hα-helixtrans-64.9-28174.9-69.2-177.479.800113.9L190 K192 K198L190-M194 HydrophobicContact CG-SD 4.46Å; L190-M194 WeakPolarHBondContact O-CG 3.48Å; L190-M194 PolarHBondContact O-N 3.35Å; K192-M194 VanDerWaalsContact C-N 3.28Å; K192-M194 PolarHBondContact O-N 3.27Å; M194-K198 WeakPolarHBondContact O-CB 3.27Å; M194-K198 WeakPolarHBondContact O-CD 3.32Å; M194-K198 VanDerWaalsContact O-CG 3.23Å; M194-K198 WeakPolarHBondContact O-CG 3.31Å; M194-K198 PolarHBondContact O-N 3.35Å
195R97.9Very high97Very high147 Ų14799.5 Ų99.556%0.55550%0.496SS*.Hα-helixtrans-77.4-43.9172.7-78.7176.4-73.9157.2-6.3111.1V191 K192 S193 L197 K198 V199V191-R195 PolarHBondContact O-NE 3.2Å; K192-R195 WeakPolarHBondContact O-CA 3.46Å; K192-R195 WeakPolarHBondContact O-CB 3.41Å; K192-R195 PolarHBondContact O-N 3.3Å; S193-R195 VanDerWaalsContact C-N 3.29Å; S193-R195 PolarHBondContact O-N 3.06Å; R195-L197 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 2.68Å; R195-K198 PolarHBondContact O-N 3.17Å; R195-V199 WeakPolarHBondContact O-CG2 3.36Å; R195-V199 PolarHBondContact O-N 3.05Å
196D97.6Very high96.7Very high77 Ų7797.4 Ų97.441%0.41249%0.493SS..Hα-helixtrans-60.3-45.1177.8-60.5-23.1000110.3K192 S193 K198 V199 D200K192-D196 WeakPolarHBondContact CE-OD2 3.14Å; K192-D196 PolarHBondContact O-N 3.08Å; S193-D196 PolarHBondContact O-N 3.29Å; D196-K198 PolarHBondContact O-N 2.96Å; D196-V199 WeakPolarHBondContact O-CB 3.34Å; D196-V199 PolarHBondContact O-N 3.44Å; D196-D200 PolarHBondContact O-N 3.38Å
197L97.1Very high96.4Very high114 Ų11492.5 Ų92.560%0.59748%0.48SS*.Hα-helixtrans-62.2-38.6173.5-74168.9000113.6S193 R195 V199 D200 G201S193-L197 WeakPolarHBondContact O-CB 3.29Å; S193-L197 WeakPolarHBondContact O-CG 3.26Å; S193-L197 PolarHBondContact O-N 3.34Å; R195-L197 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 2.68Å; L197-V199 VanDerWaalsContact C-N 3.35Å; L197-D200 PolarHBondContact O-N 3.25Å; L197-G201 PolarHBondContact O-N 2.92Å
198K97.6Very high95.9Very high145 Ų14595.7 Ų95.763%0.6349%0.491SS*.Hα-helixtrans-66.3-38174.2-79.5173.5179.1-176.40111.8M194 R195 D196 S202M194-K198 WeakPolarHBondContact O-CB 3.27Å; M194-K198 WeakPolarHBondContact O-CD 3.32Å; M194-K198 VanDerWaalsContact O-CG 3.23Å; M194-K198 WeakPolarHBondContact O-CG 3.31Å; M194-K198 PolarHBondContact O-N 3.35Å; R195-K198 PolarHBondContact O-N 3.17Å; D196-K198 PolarHBondContact O-N 2.96Å; K198-S202 WeakPolarHBondContact O-CB 3.31Å; K198-S202 PolarHBondContact O-N 3.4Å; K198-S202 PolarHBondContact O-OG 2.87Å
199V97.3Very high95.4Very high79 Ų7996.7 Ų96.748%0.47949%0.493SS..Hα-helixtrans-65.3-41.6174.5166.60000110.7R195 D196 L197 S202 K203R195-V199 WeakPolarHBondContact O-CG2 3.36Å; R195-V199 PolarHBondContact O-N 3.05Å; D196-V199 WeakPolarHBondContact O-CB 3.34Å; D196-V199 PolarHBondContact O-N 3.44Å; L197-V199 VanDerWaalsContact C-N 3.35Å; V199-S202 WeakPolarHBondContact O-CB 3.47Å; V199-S202 PolarHBondContact O-N 3.41Å; V199-K203 WeakPolarHBondContact O-CG 3.4Å; V199-K203 PolarHBondContact O-N 3Å; V199-K203 VanDerWaalsContact O-N 3.12Å
200D95.5Very high94.6Very high64 Ų64100.6 Ų100.634%0.34250%0.495SS..Hα-helixtrans-69.8-43.5177.4-75.1-16.7000112.7D196 L197 S202 K203 Y204D196-D200 PolarHBondContact O-N 3.38Å; L197-D200 PolarHBondContact O-N 3.25Å; D200-S202 VanDerWaalsContact C-N 3.26Å; D200-S202 PolarHBondContact O-N 3.3Å; D200-K203 WeakPolarHBondContact O-CA 3.29Å; D200-K203 WeakPolarHBondContact O-CB 3.46Å; D200-K203 PolarHBondContact O-N 2.95Å; D200-K203 WeakPolarHBondContact OD1-CE 3.44Å; D200-K203 IonicContact OD1-NZ 3.22Å; D200-K203 PolarHBondContact OD1-NZ 3.03Å; D200-Y204 HydrophobicContact CB-CE2 4.36Å; D200-Y204 WeakPolarHBondContact O-CD2 3.46Å; D200-Y204 PolarHBondContact O-N 3.44Å
201G96.3Very high93.4Very high32 Ų32101.6 Ų101.633%0.3350%0.497SS..Hα-helixtrans-53.9-43.3169.200000112.1L197 K203 Y204 D205L197-G201 PolarHBondContact O-N 2.92Å; G201-K203 PolarHBondContact O-N 2.99Å; G201-Y204 PolarHBondContact O-N 2.79Å; G201-Y204 VanDerWaalsContact O-N 3.16Å; G201-D205 PolarHBondContact O-N 3.08Å
202S95.9Very high92.1Very high59 Ų59103.2 Ų103.241%0.41351%0.507SS..Hα-helixtrans-63.5-24.9174.9-550000113.9K198 V199 D200 Q206K198-S202 WeakPolarHBondContact O-CB 3.31Å; K198-S202 PolarHBondContact O-N 3.4Å; K198-S202 PolarHBondContact O-OG 2.87Å; V199-S202 WeakPolarHBondContact O-CB 3.47Å; V199-S202 PolarHBondContact O-N 3.41Å; D200-S202 VanDerWaalsContact C-N 3.26Å; D200-S202 PolarHBondContact O-N 3.3Å; S202-Q206 VanDerWaalsContact O-CG 3.29Å; S202-Q206 WeakPolarHBondContact O-CG 3.2Å; S202-Q206 PolarHBondContact O-N 2.83Å; S202-Q206 PolarHBondContact O-NE2 3.01Å
203K95.7Very high90.6Very high108 Ų108102.1 Ų102.147%0.4751%0.514SS..Hα-helixtrans-77-44.6172.1-65166.5-167.11620110.7V199 D200 G201 D205 Q206 L207V199-K203 WeakPolarHBondContact O-CG 3.4Å; V199-K203 PolarHBondContact O-N 3Å; V199-K203 VanDerWaalsContact O-N 3.12Å; D200-K203 WeakPolarHBondContact O-CA 3.29Å; D200-K203 WeakPolarHBondContact O-CB 3.46Å; D200-K203 PolarHBondContact O-N 2.95Å; D200-K203 WeakPolarHBondContact OD1-CE 3.44Å; D200-K203 IonicContact OD1-NZ 3.22Å; D200-K203 PolarHBondContact OD1-NZ 3.03Å; G201-K203 PolarHBondContact O-N 2.99Å; K203-D205 PolarHBondContact O-N 2.96Å; K203-Q206 WeakPolarHBondContact O-CB 3.46Å; K203-Q206 PolarHBondContact O-N 3.47Å; K203-Q206 VanDerWaalsContact O-N 3.15Å; K203-L207 WeakPolarHBondContact O-CG 3.46Å; K203-L207 PolarHBondContact O-N 3.33Å
204Y93.3Very high88.6Confident164 Ų164106.2 Ų106.264%0.64353%0.527SS*.Hα-helixtrans-62-41.9176.8-68.3-65.2000111.7D200 G201 Q206 L207 L208D200-Y204 HydrophobicContact CB-CE2 4.36Å; D200-Y204 WeakPolarHBondContact O-CD2 3.46Å; D200-Y204 PolarHBondContact O-N 3.44Å; G201-Y204 PolarHBondContact O-N 2.79Å; G201-Y204 VanDerWaalsContact O-N 3.16Å; Y204-Q206 VanDerWaalsContact C-N 3.29Å; Y204-Q206 PolarHBondContact O-N 2.83Å; Y204-L207 PolarHBondContact O-N 3.25Å; Y204-L208 WeakPolarHBondContact O-CB 3.31Å; Y204-L208 PolarHBondContact O-N 3.46Å
205D92.9Very high86.5Confident87 Ų87104.7 Ų104.747%0.46553%0.53SS..Hα-helixtrans-57.9-38.9172.3-82.7-8.1000112.8G201 K203 K209G201-D205 PolarHBondContact O-N 3.08Å; K203-D205 PolarHBondContact O-N 2.96Å; D205-K209 VanDerWaalsContact O-CB 3.3Å; D205-K209 WeakPolarHBondContact O-CB 3.23Å; D205-K209 WeakPolarHBondContact O-CD 3.36Å; D205-K209 WeakPolarHBondContact O-CG 3.34Å; D205-K209 PolarHBondContact O-N 2.9Å
206Q92.8Very high84.3Confident106 Ų106103.6 Ų103.650%0.49554%0.542SS..Hα-helixtrans-71.1-38.5177.2-77.1172.961.400112.2S202 K203 Y204 R210S202-Q206 VanDerWaalsContact O-CG 3.29Å; S202-Q206 WeakPolarHBondContact O-CG 3.2Å; S202-Q206 PolarHBondContact O-N 2.83Å; S202-Q206 PolarHBondContact O-NE2 3.01Å; K203-Q206 WeakPolarHBondContact O-CB 3.46Å; K203-Q206 PolarHBondContact O-N 3.47Å; K203-Q206 VanDerWaalsContact O-N 3.15Å; Y204-Q206 VanDerWaalsContact C-N 3.29Å; Y204-Q206 PolarHBondContact O-N 2.83Å; Q206-R210 WeakPolarHBondContact O-CG 3.32Å; Q206-R210 PolarHBondContact O-N 3.34Å
207L89.9Confident82.3Confident81 Ų81108 Ų10842%0.42455%0.553SS.*Hα-helixtrans-65.6-46173.9-69.6172.5000110.9K203 Y204 K209 R210 H211K203-L207 WeakPolarHBondContact O-CG 3.46Å; K203-L207 PolarHBondContact O-N 3.33Å; Y204-L207 PolarHBondContact O-N 3.25Å; L207-K209 PolarHBondContact O-N 2.82Å; L207-R210 WeakPolarHBondContact O-CB 3.38Å; L207-R210 PolarHBondContact O-N 3.12Å; L207-R210 VanDerWaalsContact O-N 3.12Å; L207-H211 PolarHBondContact O-CD2 3.35Å; L207-H211 PolarHBondContact O-N 3.26Å
208L88.1Confident80.5Confident108 Ų108108.6 Ų108.657%0.56556%0.557SS**Hα-helixtrans-60.5-44.1176.5-174.263.2000111.3Y204 R210 H211 V212Y204-L208 WeakPolarHBondContact O-CB 3.31Å; Y204-L208 PolarHBondContact O-N 3.46Å; L208-R210 VanDerWaalsContact C-N 3.3Å; L208-R210 PolarHBondContact O-N 3.08Å; L208-H211 PolarHBondContact O-N 3.23Å; L208-V212 HydrophobicContact CD1-CG2 4.41Å; L208-V212 WeakPolarHBondContact O-CB 3.3Å; L208-V212 VanDerWaalsContact O-CG2 3.32Å; L208-V212 WeakPolarHBondContact O-CG2 3.46Å; L208-V212 PolarHBondContact O-N 3.49Å
209K88.3Confident78.7Confident135 Ų135105.1 Ų105.159%0.58756%0.555SS**Hα-helixtrans-62.8-32.8174.7-75.9165.1-174.7162.30113D205 L207 S213D205-K209 VanDerWaalsContact O-CB 3.3Å; D205-K209 WeakPolarHBondContact O-CB 3.23Å; D205-K209 WeakPolarHBondContact O-CD 3.36Å; D205-K209 WeakPolarHBondContact O-CG 3.34Å; D205-K209 PolarHBondContact O-N 2.9Å; L207-K209 PolarHBondContact O-N 2.82Å; K209-S213 VanDerWaalsContact O-CB 3.3Å; K209-S213 WeakPolarHBondContact O-CB 3.1Å; K209-S213 PolarHBondContact O-N 3.31Å; K209-S213 VanDerWaalsContact O-N 3.13Å; K209-S213 PolarHBondContact O-OG 3.13Å
210R81.4Confident76.9Confident143 Ų143107.3 Ų107.354%0.5456%0.564SS.*Hα-helixtrans-67.9-51.6170.1-71.7177.7-161.8168.37.4111.1Q206 L207 L208 V212 S213 E214Q206-R210 WeakPolarHBondContact O-CG 3.32Å; Q206-R210 PolarHBondContact O-N 3.34Å; L207-R210 WeakPolarHBondContact O-CB 3.38Å; L207-R210 PolarHBondContact O-N 3.12Å; L207-R210 VanDerWaalsContact O-N 3.12Å; L208-R210 VanDerWaalsContact C-N 3.3Å; L208-R210 PolarHBondContact O-N 3.08Å; R210-V212 PolarHBondContact O-N 3.3Å; R210-S213 CarbonylContact O-C 3.54Å; R210-S213 PolarHBondContact O-N 3.46Å; R210-E214 WeakPolarHBondContact O-CB 3.43Å; R210-E214 PolarHBondContact O-N 3.37Å
211H71.4Confident75.8Confident128 Ų128107 Ų10759%0.59357%0.567SS**Hα-helixtrans-61-25.4178.6-73.5-62.5000114.4L207 L208L207-H211 PolarHBondContact O-CD2 3.35Å; L207-H211 PolarHBondContact O-N 3.26Å; L208-H211 PolarHBondContact O-N 3.23Å
212V71.3Confident74.4Confident116 Ų116109.9 Ų109.970%0.70357%0.571SS**Hα-helixtrans-85.9-20173.5173.60000112.7L208 R210L208-V212 HydrophobicContact CD1-CG2 4.41Å; L208-V212 WeakPolarHBondContact O-CB 3.3Å; L208-V212 VanDerWaalsContact O-CG2 3.32Å; L208-V212 WeakPolarHBondContact O-CG2 3.46Å; L208-V212 PolarHBondContact O-N 3.49Å; R210-V212 PolarHBondContact O-N 3.3Å
213S67.4Low73.5Confident99 Ų99109 Ų10969%0.69257%0.565SS**Hα-helixtrans-95.3-28.1176.9-55.20000113.4K209 R210 A215K209-S213 VanDerWaalsContact O-CB 3.3Å; K209-S213 WeakPolarHBondContact O-CB 3.1Å; K209-S213 PolarHBondContact O-N 3.31Å; K209-S213 VanDerWaalsContact O-N 3.13Å; K209-S213 PolarHBondContact O-OG 3.13Å; R210-S213 CarbonylContact O-C 3.54Å; R210-S213 PolarHBondContact O-N 3.46Å; S213-A215 PolarHBondContact O-N 2.98Å
214E55.9Low72.7Confident141 Ų141110.3 Ų110.366%0.65957%0.572SS**SBendtrans-84.293.5178.3-71.3-172.4142.300110.6R210R210-E214 WeakPolarHBondContact O-CB 3.43Å; R210-E214 PolarHBondContact O-N 3.37Å
215A53.1Low72.2Confident65 Ų65107.1 Ų107.154%0.53756%0.562SS.*  trans79130.2172.900000117.3S213 W217S213-A215 PolarHBondContact O-N 2.98Å; A215-W217 PolarHBondContact O-N 2.98Å
216P51.6Low71.7Confident125 Ų125105.7 Ų105.781%0.81255%0.553SS**  trans-61.9129.7149.430.4-31.3000107.1D218P216-D218 PolarHBondContact O-N 3.49Å
217W55.3Low71.4Confident169 Ų169106.5 Ų106.564%0.6456%0.556SS**  trans-64.1130.3179.2-68.240000108.5A215 A219 F222A215-W217 PolarHBondContact O-N 2.98Å; W217-A219 PolarHBondContact O-N 2.91Å; W217-F222 HydrophobicContact CE3-CD2 4.15Å; W217-F222 HydrophobicContact CZ3-CD2 4.12Å; W217-F222 HydrophobicContact CZ3-CE2 4.27Å
218D58.4Low71.3Confident127 Ų127106.4 Ų106.468%0.67955%0.552SS**  trans-58.2101.3170.3-83.2-38.9000108.3P216 D220 S221 F222P216-D218 PolarHBondContact O-N 3.49Å; D218-D220 PolarHBondContact O-N 3.23Å; D218-D220 VanDerWaalsContact O-N 3.13Å; D218-S221 WeakPolarHBondContact O-CA 3.34Å; D218-S221 VanDerWaalsContact O-CB 3.32Å; D218-S221 WeakPolarHBondContact O-CB 3.45Å; D218-S221 PolarHBondContact O-N 3.34Å; D218-F222 PolarHBondContact O-N 3.39Å; D218-F222 VanDerWaalsContact O-N 3.08Å
219A60.1Low71.4Confident72 Ų72104.1 Ų104.160%0.59554%0.542SS*.Hα-helixtrans-59.9-29.9-173.500000111.3W217 S223W217-A219 PolarHBondContact O-N 2.91Å; A219-S223 WeakPolarHBondContact O-CB 3.46Å; A219-S223 PolarHBondContact O-N 2.95Å
220D61.2Low71.5Confident124 Ų124106.2 Ų106.266%0.66355%0.546SS*.Hα-helixtrans-66-43.6172.3-64.9-48.9000112.2D218 F222 S223 E224D218-D220 PolarHBondContact O-N 3.23Å; D218-D220 VanDerWaalsContact O-N 3.13Å; D220-F222 PolarHBondContact O-N 3.35Å; D220-S223 WeakPolarHBondContact O-CB 3.49Å; D220-S223 PolarHBondContact O-N 3.07Å; D220-E224 WeakPolarHBondContact O-CB 3.39Å; D220-E224 WeakPolarHBondContact O-CG 3.46Å; D220-E224 PolarHBondContact O-N 3.37Å
221S70.9Confident71.9Confident57 Ų57102.2 Ų102.240%0.39954%0.54SS..Hα-helixtrans-61.9-41.8175.4-177.10000111.9D218 K225D218-S221 WeakPolarHBondContact O-CA 3.34Å; D218-S221 VanDerWaalsContact O-CB 3.32Å; D218-S221 WeakPolarHBondContact O-CB 3.45Å; D218-S221 PolarHBondContact O-N 3.34Å; S221-K225 VanDerWaalsContact O-CG 3.3Å; S221-K225 WeakPolarHBondContact O-CG 3.3Å; S221-K225 PolarHBondContact O-N 2.9Å
222F68.4Low72.8Confident93 Ų9397.6 Ų97.641%0.40852%0.52SS..Hα-helixtrans-67.7-43.1174.1-171.3-116.1000111.9W217 D218 D220 E224 K225 I226W217-F222 HydrophobicContact CE3-CD2 4.15Å; W217-F222 HydrophobicContact CZ3-CD2 4.12Å; W217-F222 HydrophobicContact CZ3-CE2 4.27Å; D218-F222 PolarHBondContact O-N 3.39Å; D218-F222 VanDerWaalsContact O-N 3.08Å; D220-F222 PolarHBondContact O-N 3.35Å; F222-E224 PolarHBondContact O-N 2.93Å; F222-K225 PolarHBondContact O-N 3.14Å; F222-I226 HydrophobicContact CD1-CD1 3.79Å; F222-I226 HydrophobicContact CE1-CD1 3.45Å; F222-I226 VanDerWaalsContact CE1-CD1 3.45Å; F222-I226 HydrophobicContact CE2-CD1 4.37Å; F222-I226 HydrophobicContact CG-CD1 4.39Å; F222-I226 HydrophobicContact CZ-CD1 3.77Å; F222-I226 WeakPolarHBondContact O-CG1 3.44Å; F222-I226 PolarHBondContact O-N 2.7Å
223S75.1Confident73.7Confident41 Ų4199 Ų9929%0.28751%0.513SS..Hα-helixtrans-60.4-41.6175.6-167.60000112.2A219 D220 I226 K227A219-S223 WeakPolarHBondContact O-CB 3.46Å; A219-S223 PolarHBondContact O-N 2.95Å; D220-S223 WeakPolarHBondContact O-CB 3.49Å; D220-S223 PolarHBondContact O-N 3.07Å; S223-I226 PolarHBondContact O-N 2.98Å; S223-K227 WeakPolarHBondContact O-CB 3.44Å; S223-K227 VanDerWaalsContact O-CD 3.29Å; S223-K227 WeakPolarHBondContact O-CD 3.3Å; S223-K227 WeakPolarHBondContact O-CG 3.4Å; S223-K227 PolarHBondContact O-N 2.89Å; S223-K227 VanDerWaalsContact OG-CE 3.29Å; S223-K227 WeakPolarHBondContact OG-CE 3.42Å; S223-K227 PolarHBondContact OG-NZ 3.03Å
224E80.1Confident74.8Confident136 Ų13698.3 Ų98.364%0.63651%0.507SS*.Hα-helixtrans-66.9-42.9175.3-76.2-169.5171.900112.4D220 F222 I226 K227 K228D220-E224 WeakPolarHBondContact O-CB 3.39Å; D220-E224 WeakPolarHBondContact O-CG 3.46Å; D220-E224 PolarHBondContact O-N 3.37Å; F222-E224 PolarHBondContact O-N 2.93Å; E224-I226 PolarHBondContact O-N 2.91Å; E224-K227 PolarHBondContact O-N 3.48Å; E224-K228 VanDerWaalsContact O-CB 3.3Å; E224-K228 WeakPolarHBondContact O-CB 3.38Å; E224-K228 PolarHBondContact O-N 3.39Å
225K82.1Confident76.3Confident96 Ų9692.6 Ų92.642%0.41748%0.484SS..Hα-helixtrans-56.4-48.9172-73.8171.7-175.9-177.90111.2S221 F222 K228 V229S221-K225 VanDerWaalsContact O-CG 3.3Å; S221-K225 WeakPolarHBondContact O-CG 3.3Å; S221-K225 PolarHBondContact O-N 2.9Å; F222-K225 PolarHBondContact O-N 3.14Å; K225-K228 WeakPolarHBondContact O-CB 3.39Å; K225-K228 PolarHBondContact O-N 3.19Å; K225-K228 VanDerWaalsContact O-N 3.15Å; K225-V229 WeakPolarHBondContact O-CG2 3.48Å; K225-V229 PolarHBondContact O-N 2.77Å
226I82.7Confident77.9Confident57 Ų5792.1 Ų92.129%0.29247%0.472SS..Hα-helixtrans-61.6-47.2177.8-71.6171.6000111.6F222 S223 E224 K228 V229 R230F222-I226 HydrophobicContact CD1-CD1 3.79Å; F222-I226 HydrophobicContact CE1-CD1 3.45Å; F222-I226 VanDerWaalsContact CE1-CD1 3.45Å; F222-I226 HydrophobicContact CE2-CD1 4.37Å; F222-I226 HydrophobicContact CG-CD1 4.39Å; F222-I226 HydrophobicContact CZ-CD1 3.77Å; F222-I226 WeakPolarHBondContact O-CG1 3.44Å; F222-I226 PolarHBondContact O-N 2.7Å; S223-I226 PolarHBondContact O-N 2.98Å; E224-I226 PolarHBondContact O-N 2.91Å; I226-K228 PolarHBondContact O-N 3.21Å; I226-V229 PolarHBondContact O-N 3.35Å; I226-R230 WeakPolarHBondContact O-CG 3.43Å; I226-R230 PolarHBondContact O-N 3.01Å
227K87.3Confident79.6Confident124 Ų12490.3 Ų90.354%0.53945%0.453SS..Hα-helixtrans-57.3-37.3175.5-73158.6-176.7152.20111.3S223 E224 S231S223-K227 WeakPolarHBondContact O-CB 3.44Å; S223-K227 VanDerWaalsContact O-CD 3.29Å; S223-K227 WeakPolarHBondContact O-CD 3.3Å; S223-K227 WeakPolarHBondContact O-CG 3.4Å; S223-K227 PolarHBondContact O-N 2.89Å; S223-K227 VanDerWaalsContact OG-CE 3.29Å; S223-K227 WeakPolarHBondContact OG-CE 3.42Å; S223-K227 PolarHBondContact OG-NZ 3.03Å; E224-K227 PolarHBondContact O-N 3.48Å; K227-S231 PolarHBondContact O-N 3.28Å
228K87.7Confident81.1Confident79 Ų7984.3 Ų84.334%0.34344%0.443SS..Hα-helixtrans-73-41.5178.1-164.3168.2-168.9163.80112.9E224 K225 I226 R230 S231 L232 E556E224-K228 VanDerWaalsContact O-CB 3.3Å; E224-K228 WeakPolarHBondContact O-CB 3.38Å; E224-K228 PolarHBondContact O-N 3.39Å; K225-K228 WeakPolarHBondContact O-CB 3.39Å; K225-K228 PolarHBondContact O-N 3.19Å; K225-K228 VanDerWaalsContact O-N 3.15Å; I226-K228 PolarHBondContact O-N 3.21Å; K228-R230 VanDerWaalsContact C-N 3.32Å; K228-R230 PolarHBondContact O-N 3.01Å; K228-S231 PolarHBondContact O-N 3.22Å; K228-S231 PolarHBondContact O-OG 3.47Å; K228-S231 VanDerWaalsContact O-OG 3.05Å; K228-L232 HydrophobicContact CG-CD1 4.16Å; K228-L232 HydrophobicContact CG-CG 4.49Å; K228-L232 WeakPolarHBondContact O-CB 3.28Å; K228-L232 WeakPolarHBondContact O-CD1 3.16Å; K228-L232 WeakPolarHBondContact O-CG 3.48Å; K228-L232 PolarHBondContact O-N 2.9Å; K228-E556 WeakPolarHBondContact CE-OE2 3.21Å; K228-E556 IonicContact NZ-OE2 3.9Å
229V90.6Very high82.4Confident59 Ų5981.2 Ų81.236%0.35843%0.425SS..Hα-helixtrans-59.8-44.3172.6172.60000110.4K225 I226 S231 L232 W233K225-V229 WeakPolarHBondContact O-CG2 3.48Å; K225-V229 PolarHBondContact O-N 2.77Å; I226-V229 PolarHBondContact O-N 3.35Å; V229-S231 PolarHBondContact O-N 3.43Å; V229-L232 PolarHBondContact O-N 2.89Å; V229-W233 PolarHBondContact O-N 3.47Å
230R90.4Very high83.3Confident180 Ų18082.2 Ų82.268%0.67942%0.42SS*.Hα-helixtrans-62.9-39.2176.5-67.5176.3-170.7-178.34.1113.2I226 K228 S234I226-R230 WeakPolarHBondContact O-CG 3.43Å; I226-R230 PolarHBondContact O-N 3.01Å; K228-R230 VanDerWaalsContact C-N 3.32Å; K228-R230 PolarHBondContact O-N 3.01Å; R230-S234 WeakPolarHBondContact O-CB 3.47Å; R230-S234 PolarHBondContact O-N 3.07Å
231S89.9Confident84.4Confident59 Ų5980 Ų8041%0.41342%0.415SS..Hα-helixtrans-72.9-33.9177.571.20000112.8K227 K228 V229 A235K227-S231 PolarHBondContact O-N 3.28Å; K228-S231 PolarHBondContact O-N 3.22Å; K228-S231 PolarHBondContact O-OG 3.47Å; K228-S231 VanDerWaalsContact O-OG 3.05Å; V229-S231 PolarHBondContact O-N 3.43Å; S231-A235 PolarHBondContact O-N 3.18Å; S231-A235 VanDerWaalsContact O-N 3.07Å
232L90.3Very high85.1Confident31 Ų3180.5 Ų80.516%0.16242%0.422CS..Hα-helixtrans-66-43171.5-66.8166.8000111.2K228 V229 A235 I236 L555 E556 L559K228-L232 HydrophobicContact CG-CD1 4.16Å; K228-L232 HydrophobicContact CG-CG 4.49Å; K228-L232 WeakPolarHBondContact O-CB 3.28Å; K228-L232 WeakPolarHBondContact O-CD1 3.16Å; K228-L232 WeakPolarHBondContact O-CG 3.48Å; K228-L232 PolarHBondContact O-N 2.9Å; V229-L232 PolarHBondContact O-N 2.89Å; L232-A235 WeakPolarHBondContact O-CB 3.45Å; L232-A235 PolarHBondContact O-N 3.49Å; L232-I236 WeakPolarHBondContact O-CG1 3.38Å; L232-I236 PolarHBondContact O-N 3Å; L232-L555 HydrophobicContact CD1-CD2 4.46Å; L232-L555 HydrophobicContact CD2-CD2 3.93Å; L232-E556 HydrophobicContact CD2-CB 4.16Å; L232-E556 HydrophobicContact CD2-CG 4.11Å; L232-L559 HydrophobicContact CD2-CD1 3.66Å
233W89.4Confident85.9Confident146 Ų14679.4 Ų79.455%0.55342%0.42SS*.Hα-helixtrans-61.8-47.4175-165-85.5000111.8V229 A235 I236 E237V229-W233 PolarHBondContact O-N 3.47Å; W233-A235 PolarHBondContact O-N 3Å; W233-I236 WeakPolarHBondContact O-CA 3.46Å; W233-I236 WeakPolarHBondContact O-CB 3.33Å; W233-I236 PolarHBondContact O-N 2.9Å; W233-E237 PolarHBondContact NE1-OE1 3.08Å; W233-E237 WeakPolarHBondContact O-CG 3.47Å; W233-E237 PolarHBondContact O-N 3.35Å
234S90.6Very high86.3Confident83 Ų8384.6 Ų84.658%0.5844%0.437SS*.Hα-helixtrans-58.6-33.3175.3178.90000113.1R230 G238R230-S234 WeakPolarHBondContact O-CB 3.47Å; R230-S234 PolarHBondContact O-N 3.07Å; S234-G238 PolarHBondContact O-N 2.85Å
235A87.8Confident86.3Confident22 Ų2286 Ų8618%0.18244%0.444CS..Hα-helixtrans-70.9-32.9173.500000113.1S231 L232 W233 M239S231-A235 PolarHBondContact O-N 3.18Å; S231-A235 VanDerWaalsContact O-N 3.07Å; L232-A235 WeakPolarHBondContact O-CB 3.45Å; L232-A235 PolarHBondContact O-N 3.49Å; W233-A235 PolarHBondContact O-N 3Å; A235-M239 WeakPolarHBondContact O-CB 3.19Å; A235-M239 PolarHBondContact O-N 2.79Å; A235-M239 VanDerWaalsContact O-N 3.11Å
236I86.5Confident86.1Confident55 Ų5586.3 Ų86.328%0.28245%0.447SS..Hα-helixtrans-70-46.9173.6-67164.7000110.2L232 W233 G238 M239 L240L232-I236 WeakPolarHBondContact O-CG1 3.38Å; L232-I236 PolarHBondContact O-N 3Å; W233-I236 WeakPolarHBondContact O-CA 3.46Å; W233-I236 WeakPolarHBondContact O-CB 3.33Å; W233-I236 PolarHBondContact O-N 2.9Å; I236-G238 VanDerWaalsContact C-N 3.3Å; I236-G238 PolarHBondContact O-N 3.41Å; I236-M239 CarbonylContact O-C 3.52Å; I236-M239 WeakPolarHBondContact O-CA 3.37Å; I236-M239 WeakPolarHBondContact O-CB 3.3Å; I236-M239 PolarHBondContact O-N 3.32Å; I236-L240 HydrophobicContact CG2-CD1 4.01Å; I236-L240 HydrophobicContact CG2-CG 4.3Å; I236-L240 WeakPolarHBondContact O-CG 3.29Å; I236-L240 PolarHBondContact O-N 2.83Å
237E87Confident85.8Confident87 Ų8788.6 Ų88.641%0.40746%0.456SS..Hα-helixtrans-58.8-40.8176.1-67-70.7-172.800112.3W233 M239 L240 S241W233-E237 PolarHBondContact NE1-OE1 3.08Å; W233-E237 WeakPolarHBondContact O-CG 3.47Å; W233-E237 PolarHBondContact O-N 3.35Å; E237-M239 VanDerWaalsContact C-N 3.34Å; E237-L240 PolarHBondContact O-N 3.34Å; E237-S241 VanDerWaalsContact O-CB 3.29Å; E237-S241 WeakPolarHBondContact O-CB 3.44Å; E237-S241 PolarHBondContact O-N 3.19Å; E237-S241 PolarHBondContact O-OG 2.9Å
238G87.5Confident85.3Confident42 Ų4285.3 Ų85.343%0.43345%0.452SS..Hα-helixtrans-64.2-36.6173.200000113.1S234 I236 A242S234-G238 PolarHBondContact O-N 2.85Å; I236-G238 VanDerWaalsContact C-N 3.3Å; I236-G238 PolarHBondContact O-N 3.41Å; G238-A242 VanDerWaalsContact O-CB 3.3Å; G238-A242 WeakPolarHBondContact O-CB 3.43Å; G238-A242 PolarHBondContact O-N 3.17Å
239M85.1Confident84.5Confident62 Ų6283.3 Ų83.331%0.30545%0.451SS..Hα-helixtrans-70.3-44.1175.5-177.7-177.570.600112A235 I236 E237 S241 A242 I243A235-M239 WeakPolarHBondContact O-CB 3.19Å; A235-M239 PolarHBondContact O-N 2.79Å; A235-M239 VanDerWaalsContact O-N 3.11Å; I236-M239 CarbonylContact O-C 3.52Å; I236-M239 WeakPolarHBondContact O-CA 3.37Å; I236-M239 WeakPolarHBondContact O-CB 3.3Å; I236-M239 PolarHBondContact O-N 3.32Å; E237-M239 VanDerWaalsContact C-N 3.34Å; M239-S241 VanDerWaalsContact C-N 3.34Å; M239-A242 PolarHBondContact O-N 3.24Å; M239-I243 HydrophobicContact CG-CD1 3.82Å; M239-I243 VanDerWaalsContact O-CG1 3.32Å; M239-I243 WeakPolarHBondContact O-CG1 3.43Å; M239-I243 PolarHBondContact O-N 3.38Å
240L78.3Confident83.6Confident93 Ų9384.7 Ų84.749%0.48746%0.459SS..Hα-helixtrans-60.9-44.5175-68.7172.8000110.8I236 E237 A242 I243 K244I236-L240 HydrophobicContact CG2-CD1 4.01Å; I236-L240 HydrophobicContact CG2-CG 4.3Å; I236-L240 WeakPolarHBondContact O-CG 3.29Å; I236-L240 PolarHBondContact O-N 2.83Å; E237-L240 PolarHBondContact O-N 3.34Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 2.9Å; L240-I243 PolarHBondContact O-N 2.93Å; L240-K244 PolarHBondContact O-N 2.65Å
241S85.3Confident82.8Confident79 Ų7979.5 Ų79.555%0.55244%0.442SS*.Hα-helixtrans-59.4-40.7174.6-60.10000112.4E237 M239 I243 K244E237-S241 VanDerWaalsContact O-CB 3.29Å; E237-S241 WeakPolarHBondContact O-CB 3.44Å; E237-S241 PolarHBondContact O-N 3.19Å; E237-S241 PolarHBondContact O-OG 2.9Å; M239-S241 VanDerWaalsContact C-N 3.34Å; S241-I243 VanDerWaalsContact C-N 3.3Å; S241-I243 PolarHBondContact O-N 3.13Å; S241-K244 WeakPolarHBondContact O-CB 3.35Å; S241-K244 PolarHBondContact O-N 3.16Å
242A85.1Confident81.8Confident66 Ų6677.6 Ų77.655%0.54543%0.429SS..Hα-helixtrans-78.3-7.8179.100000115G238 M239 L240 Q246G238-A242 VanDerWaalsContact O-CB 3.3Å; G238-A242 WeakPolarHBondContact O-CB 3.43Å; G238-A242 PolarHBondContact O-N 3.17Å; M239-A242 PolarHBondContact O-N 3.24Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 2.9Å; A242-Q246 PolarHBondContact O-NE2 3.49Å; A242-Q246 PolarHBondContact O-OE1 3.12Å; A242-Q246 VanDerWaalsContact O-OE1 3.09Å
243I84.3Confident80.6Confident71 Ų7180.3 Ų80.336%0.36445%0.447SS..Hα-helixtrans-104.6-10.3174.2-67.9170.8000111.1M239 L240 S241 E245 Q246 Q247M239-I243 HydrophobicContact CG-CD1 3.82Å; M239-I243 VanDerWaalsContact O-CG1 3.32Å; M239-I243 WeakPolarHBondContact O-CG1 3.43Å; M239-I243 PolarHBondContact O-N 3.38Å; L240-I243 PolarHBondContact O-N 2.93Å; S241-I243 VanDerWaalsContact C-N 3.3Å; S241-I243 PolarHBondContact O-N 3.13Å; I243-E245 PolarHBondContact O-N 2.99Å; I243-Q246 PolarHBondContact O-N 3.15Å; I243-Q246 PolarHBondContact O-OE1 3.04Å; I243-Q246 VanDerWaalsContact O-OE1 3.05Å; I243-Q247 PolarHBondContact O-N 2.69Å
244K85.1Confident79.5Confident149 Ų14980.1 Ų80.165%0.64846%0.456SS*.Hα-helixtrans-61.9-36.1-171.9-168.2174.4-177.4176.60114.4L240 S241 A248L240-K244 PolarHBondContact O-N 2.65Å; S241-K244 WeakPolarHBondContact O-CB 3.35Å; S241-K244 PolarHBondContact O-N 3.16Å; K244-A248 WeakPolarHBondContact O-CB 3.38Å; K244-A248 PolarHBondContact O-N 3.45Å
245E78.6Confident78.8Confident165 Ų16583 Ų8377%0.77146%0.458SS*.Hα-helixtrans-72.7-37.1177.5-64.9-170.6161.300111.7I243 A248 A249I243-E245 PolarHBondContact O-N 2.99Å; E245-A248 PolarHBondContact O-N 2.94Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 2.95Å
246Q77.8Confident77.3Confident103 Ų10384.4 Ų84.448%0.48147%0.474SS..Hα-helixtrans-69-38.6175.2-55.388.2-34.700110.6A242 I243 A249 V250A242-Q246 PolarHBondContact O-NE2 3.49Å; A242-Q246 PolarHBondContact O-OE1 3.12Å; A242-Q246 VanDerWaalsContact O-OE1 3.09Å; I243-Q246 PolarHBondContact O-N 3.15Å; I243-Q246 PolarHBondContact O-OE1 3.04Å; I243-Q246 VanDerWaalsContact O-OE1 3.05Å; Q246-A249 PolarHBondContact O-N 2.85Å; Q246-V250 WeakPolarHBondContact O-CG2 3.43Å; Q246-V250 PolarHBondContact O-N 3.1Å
247Q77.6Confident76.2Confident105 Ų10585.4 Ų85.449%0.49148%0.48SS..Hα-helixtrans-62.5-46.7170.5-178.5-179.2-26.100110.8I243 A249 V250 E251I243-Q247 PolarHBondContact O-N 2.69Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.79Å; Q247-V250 PolarHBondContact O-N 3.36Å; Q247-E251 HydrophobicContact CG-CG 4.41Å; Q247-E251 PolarHBondContact NE2-OE1 3.29Å; Q247-E251 WeakPolarHBondContact O-CB 3.2Å; Q247-E251 WeakPolarHBondContact O-CG 3.37Å; Q247-E251 PolarHBondContact O-N 3.29Å
248A77.4Confident74.7Confident56 Ų5686 Ų8646%0.46349%0.49SS..Hα-helixtrans-60.3-39.8177.100000112.4K244 E245 E251 S252K244-A248 WeakPolarHBondContact O-CB 3.38Å; K244-A248 PolarHBondContact O-N 3.45Å; E245-A248 PolarHBondContact O-N 2.94Å; A248-E251 PolarHBondContact O-N 2.95Å; A248-S252 WeakPolarHBondContact O-CB 3.3Å; A248-S252 PolarHBondContact O-N 3.01Å
249A69.4Low73.2Confident37 Ų3791.6 Ų91.631%0.30651%0.509SS..Hα-helixtrans-66.2-40174.700000112.8E245 Q246 Q247 S252 V253E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 2.95Å; Q246-A249 PolarHBondContact O-N 2.85Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.79Å; A249-S252 WeakPolarHBondContact O-CB 3.45Å; A249-S252 PolarHBondContact O-N 3.33Å; A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 3.41Å; A249-V253 VanDerWaalsContact O-N 3.13Å
250V71.4Confident71.9Confident88 Ų8894.8 Ų94.853%0.53352%0.524SS..Hα-helixtrans-67.6-40.9174.1169.70000111.2Q246 Q247 S252 V253 L254Q246-V250 WeakPolarHBondContact O-CG2 3.43Å; Q246-V250 PolarHBondContact O-N 3.1Å; Q247-V250 PolarHBondContact O-N 3.36Å; V250-S252 VanDerWaalsContact C-N 3.32Å; V250-S252 PolarHBondContact O-N 2.88Å; V250-V253 PolarHBondContact O-N 3.18Å; V250-L254 HydrophobicContact CG1-CD1 4Å; V250-L254 HydrophobicContact CG1-CG 4.48Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.02Å
251E74.2Confident70.7Confident70 Ų7094.7 Ų94.733%0.32752%0.521SS..Hα-helixtrans-64-35.4173.7-79.5-173.5-141.400112.7Q247 A248 L254 K255Q247-E251 HydrophobicContact CG-CG 4.41Å; Q247-E251 PolarHBondContact NE2-OE1 3.29Å; Q247-E251 WeakPolarHBondContact O-CB 3.2Å; Q247-E251 WeakPolarHBondContact O-CG 3.37Å; Q247-E251 PolarHBondContact O-N 3.29Å; A248-E251 PolarHBondContact O-N 2.95Å; E251-L254 PolarHBondContact O-N 2.88Å; E251-K255 WeakPolarHBondContact O-CB 3.33Å; E251-K255 VanDerWaalsContact O-CD 3.29Å; E251-K255 WeakPolarHBondContact O-CD 3.37Å; E251-K255 WeakPolarHBondContact O-CG 3.49Å; E251-K255 PolarHBondContact O-N 2.93Å; E251-K255 IonicContact OE2-NZ 3.77Å; E251-K255 PolarHBondContact OE2-NZ 3.38Å
252S69.9Low69.1Low19 Ų1996.9 Ų96.913%0.13353%0.53CS..Hα-helixtrans-60.7-49.1173.5-175.30000111A248 A249 V250 L254 K255 G256 D257A248-S252 WeakPolarHBondContact O-CB 3.3Å; A248-S252 PolarHBondContact O-N 3.01Å; A249-S252 WeakPolarHBondContact O-CB 3.45Å; A249-S252 PolarHBondContact O-N 3.33Å; V250-S252 VanDerWaalsContact C-N 3.32Å; V250-S252 PolarHBondContact O-N 2.88Å; S252-L254 VanDerWaalsContact C-N 3.34Å; S252-L254 PolarHBondContact O-N 3.49Å; S252-K255 PolarHBondContact O-N 3.04Å; S252-K255 VanDerWaalsContact O-N 3.14Å; S252-G256 PolarHBondContact O-N 3.18Å; S252-G256 VanDerWaalsContact O-N 3.17Å; S252-D257 PolarHBondContact O-N 3.42Å; S252-D257 WeakPolarHBondContact OG-CB 3.25Å
253V64.9Low67.6Low88 Ų88101.7 Ų101.753%0.53355%0.546SS..Hα-helixtrans-61.3-39.8174.7173.20000111.9A249 V250 K255 G256A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 3.41Å; A249-V253 VanDerWaalsContact O-N 3.13Å; V250-V253 PolarHBondContact O-N 3.18Å; V253-K255 VanDerWaalsContact C-N 3.33Å; V253-K255 PolarHBondContact O-N 2.66Å; V253-G256 PolarHBondContact O-N 2.77Å
254L66.9Low66.3Low142 Ų142101.5 Ų101.574%0.74355%0.546SS*.Hα-helixtrans-70.7-24.5176.3-71.5170.5000113.8V250 E251 S252V250-L254 HydrophobicContact CG1-CD1 4Å; V250-L254 HydrophobicContact CG1-CG 4.48Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.02Å; E251-L254 PolarHBondContact O-N 2.88Å; S252-L254 VanDerWaalsContact C-N 3.34Å; S252-L254 PolarHBondContact O-N 3.49Å
255K73.9Confident64.8Low144 Ų14495.3 Ų95.363%0.62653%0.525SS*.Hα-helixtrans-85.4-12.3176.6-72.5161.4-164.8166.40113.1E251 S252 V253E251-K255 WeakPolarHBondContact O-CB 3.33Å; E251-K255 VanDerWaalsContact O-CD 3.29Å; E251-K255 WeakPolarHBondContact O-CD 3.37Å; E251-K255 WeakPolarHBondContact O-CG 3.49Å; E251-K255 PolarHBondContact O-N 2.93Å; E251-K255 IonicContact OE2-NZ 3.77Å; E251-K255 PolarHBondContact OE2-NZ 3.38Å; S252-K255 PolarHBondContact O-N 3.04Å; S252-K255 VanDerWaalsContact O-N 3.14Å; V253-K255 VanDerWaalsContact C-N 3.33Å; V253-K255 PolarHBondContact O-N 2.66Å
256G58Low63.8Low51 Ų5190.9 Ų90.953%0.52651%0.509SS..THydrogen-bonded Turntrans99.88.4175.100000115.5S252 V253 V258S252-G256 PolarHBondContact O-N 3.18Å; S252-G256 VanDerWaalsContact O-N 3.17Å; V253-G256 PolarHBondContact O-N 2.77Å; G256-V258 PolarHBondContact O-N 2.98Å
257D62.1Low62.7Low76 Ų7693.1 Ų93.141%0.40652%0.524SS..  trans-76.349.8175.6-83-60.8000112.2S252 D259 Q260S252-D257 PolarHBondContact O-N 3.42Å; S252-D257 WeakPolarHBondContact OG-CB 3.25Å; D257-D259 VanDerWaalsContact C-N 3.29Å; D257-D259 PolarHBondContact O-N 2.77Å; D257-Q260 HydrophobicContact CB-CG 4.49Å; D257-Q260 PolarHBondContact O-N 3.46Å; D257-Q260 PolarHBondContact OD1-NE2 2.99Å
258V55.3Low61.7Low100 Ų10095.5 Ų95.561%0.60653%0.528SS*.G310 helixtrans-60.4-34.2-169177.80000113.1G256 Q260G256-V258 PolarHBondContact O-N 2.98Å; V258-Q260 VanDerWaalsContact C-N 3.32Å; V258-Q260 PolarHBondContact O-N 2.98Å
259D57.8Low61Low159 Ų15998.3 Ų98.385%0.8554%0.54SS*.G310 helixtrans-80.1-7.6-171.9-63.1-32.9000114.2D257D257-D259 VanDerWaalsContact C-N 3.29Å; D257-D259 PolarHBondContact O-N 2.77Å
260Q56.4Low60.9Low129 Ų12999.8 Ų99.860%0.60354%0.542SS*.G310 helixtrans-87.9-14.3-174.6-58.4-165.64000114.4D257 V258D257-Q260 HydrophobicContact CB-CG 4.49Å; D257-Q260 PolarHBondContact O-N 3.46Å; D257-Q260 PolarHBondContact OD1-NE2 2.99Å; V258-Q260 VanDerWaalsContact C-N 3.32Å; V258-Q260 PolarHBondContact O-N 2.98Å
261H53.4Low60.9Low92 Ų92104.7 Ų104.743%0.42656%0.556SS.*  trans-132.186.8-168.8-66-9.2000112.7L263H261-L263 PolarHBondContact O-N 3.29Å
262V52.4Low60.9Low124 Ų124104.1 Ų104.175%0.75256%0.555SS**  trans-73.7118.7174.9-178.20000110.7D264V262-D264 HydrophobicContact CG1-CB 4.5Å; V262-D264 PolarHBondContact O-N 2.98Å
263L53.8Low61.3Low167 Ų167106.7 Ų106.787%0.87457%0.571SS**  trans-75.966.6174.8-70.9174.5000111.9H261 G265H261-L263 PolarHBondContact O-N 3.29Å; L263-G265 PolarHBondContact O-N 2.92Å; L263-G265 VanDerWaalsContact O-N 3.13Å
264D55.1Low61.7Low67 Ų67112.4 Ų112.436%0.35858%0.583SS.*  trans-71.4106.5179.4-171.643.6000111.9V262 T266 Q297V262-D264 HydrophobicContact CG1-CB 4.5Å; V262-D264 PolarHBondContact O-N 2.98Å; D264-T266 PolarHBondContact O-N 2.7Å; D264-T266 VanDerWaalsContact O-N 3.1Å; D264-T266 WeakPolarHBondContact OD2-CB 3.29Å; D264-T266 WeakPolarHBondContact OD2-CG2 3.39Å; D264-T266 PolarHBondContact OD2-OG1 3.39Å; D264-Q297 PolarHBondContact OD1-NE2 2.66Å
265G55.5Low62Low20 Ų20109.4 Ų109.421%0.20657%0.573CS.*G310 helixtrans-71.30-173.200000115.9L263 N267 R268L263-G265 PolarHBondContact O-N 2.92Å; L263-G265 VanDerWaalsContact O-N 3.13Å; G265-N267 PolarHBondContact O-N 3.34Å; G265-N267 VanDerWaalsContact O-N 3.09Å; G265-R268 PolarHBondContact O-N 2.91Å; G265-R268 VanDerWaalsContact O-N 3.1Å
266T56.9Low62.2Low72 Ų72103 Ų10344%0.44255%0.546SS..G310 helixtrans-52.9-31.5-174.850.40000114.1D264 R268D264-T266 PolarHBondContact O-N 2.7Å; D264-T266 VanDerWaalsContact O-N 3.1Å; D264-T266 WeakPolarHBondContact OD2-CB 3.29Å; D264-T266 WeakPolarHBondContact OD2-CG2 3.39Å; D264-T266 PolarHBondContact OD2-OG1 3.39Å; T266-R268 VanDerWaalsContact C-N 3.33Å; T266-R268 PolarHBondContact O-N 3.05Å
267N54.8Low63Low150 Ų150103.5 Ų103.580%0.80254%0.536SS*.G310 helixtrans-78.6-1.2-178.8-75.3-60.4000115.5G265G265-N267 PolarHBondContact O-N 3.34Å; G265-N267 VanDerWaalsContact O-N 3.09Å
268R57Low63.7Low154 Ų154103 Ų10358%0.58153%0.534SS*.  trans-129.198.2-179.3-70.4-167.6175.5-140.8-5113.8G265 T266 L270 Y293G265-R268 PolarHBondContact O-N 2.91Å; G265-R268 VanDerWaalsContact O-N 3.1Å; T266-R268 VanDerWaalsContact C-N 3.33Å; T266-R268 PolarHBondContact O-N 3.05Å; R268-L270 PolarHBondContact O-N 3.34Å; R268-Y293 PolarHBondContact O-OH 3.13Å
269V62.2Low64.7Low116 Ų116100.3 Ų100.370%0.70351%0.512SS*.  trans-68.1109.3170.8-177.50000110.6
270L66.5Low65.5Low67 Ų6793.3 Ų93.335%0.35148%0.475SS..  trans-69134.4175.4-69.1-173000111.1R268 V292 Y293 L298 V303R268-L270 PolarHBondContact O-N 3.34Å; L270-V292 HydrophobicContact CD1-CG1 4.14Å; L270-Y293 PolarHBondContact N-OH 2.9Å; L270-L298 HydrophobicContact CD1-CD1 3.6Å; L270-L298 HydrophobicContact CD1-CD2 4.37Å; L270-L298 HydrophobicContact CG-CD1 4.03Å; L270-V303 HydrophobicContact CD1-CG2 3.63Å
271K72.4Confident66.4Low192 Ų19293.8 Ų93.884%0.83548%0.477SS*.  trans-11092.2178-67.7-178-178.8176.60109.7
272L73.9Confident67.3Low57 Ų5798.5 Ų98.530%0.29849%0.491SS..  trans-70.7128.3-178-66.2169.6000111.3L276 L277 V292 L306L272-L276 HydrophobicContact CD2-CD2 3.97Å; L272-L277 HydrophobicContact CB-CD1 4.29Å; L272-L277 HydrophobicContact CB-CD2 3.94Å; L272-L277 HydrophobicContact CB-CG 4.08Å; L272-L277 HydrophobicContact CD1-CD2 3.83Å; L272-V292 HydrophobicContact CD1-CG2 4.19Å; L272-L306 HydrophobicContact CD2-CD1 4.08Å; L272-L306 HydrophobicContact CD2-CD2 4.16Å
273P77.9Confident68.2Low73 Ų7395.3 Ų95.347%0.47447%0.47SS..  trans-64.6141.1173.9-22.234.3000112C275 L276 L277P273-C275 PolarHBondContact O-N 3.3Å; P273-L276 HydrophobicContact CB-CB 4.44Å; P273-L276 VanDerWaalsContact O-CB 3.31Å; P273-L276 WeakPolarHBondContact O-CB 3.21Å; P273-L276 PolarHBondContact O-N 2.99Å; P273-L277 PolarHBondContact O-N 2.93Å
274R73.1Confident68.2Low208 Ų20893 Ų9379%0.78546%0.464SS*.Hα-helixtrans-55.8-46.4-179.3-68.8-176.5179.9173.1-1.8112.9L276 L277 D278R274-L276 PolarHBondContact O-N 2.73Å; R274-L277 WeakPolarHBondContact O-CB 3.4Å; R274-L277 PolarHBondContact O-N 2.9Å; R274-D278 WeakPolarHBondContact O-CB 3.28Å; R274-D278 PolarHBondContact O-N 3.26Å
275C73.8Confident68.4Low79 Ų7996.6 Ų96.653%0.53448%0.479SS..Hα-helixtrans-59.1-17.7177.154.60000115P273 L313P273-C275 PolarHBondContact O-N 3.3Å; C275-L313 WeakPolarHBondContact O-CD1 3.37Å
276L78.1Confident68.6Low10 Ų10105.1 Ų105.15%0.05251%0.505CS..Hα-helixtrans-87.6-43.2173.7-167.7120.4000111.1L272 P273 R274 R279 I280 L306 A310 L313L272-L276 HydrophobicContact CD2-CD2 3.97Å; P273-L276 HydrophobicContact CB-CB 4.44Å; P273-L276 VanDerWaalsContact O-CB 3.31Å; P273-L276 WeakPolarHBondContact O-CB 3.21Å; P273-L276 PolarHBondContact O-N 2.99Å; R274-L276 PolarHBondContact O-N 2.73Å; L276-R279 WeakPolarHBondContact O-CB 3.13Å; L276-R279 PolarHBondContact O-N 2.87Å; L276-R279 VanDerWaalsContact O-N 3.16Å; L276-I280 HydrophobicContact CD2-CD1 3.69Å; L276-I280 HydrophobicContact CG-CD1 4.18Å; L276-I280 VanDerWaalsContact O-CD1 3.32Å; L276-I280 WeakPolarHBondContact O-CD1 3.4Å; L276-I280 WeakPolarHBondContact O-CG1 3.37Å; L276-I280 PolarHBondContact O-N 3.39Å; L276-I280 VanDerWaalsContact O-N 3.11Å; L276-L306 HydrophobicContact CD2-CD2 3.66Å; L276-A310 HydrophobicContact CD1-CB 3.48Å; L276-A310 VanDerWaalsContact CD1-CB 3.48Å; L276-L313 HydrophobicContact CB-CD1 4.32Å; L276-L313 HydrophobicContact CD1-CD1 4.21Å; L276-L313 HydrophobicContact CG-CD1 4.48Å
277L75.4Confident69.2Low62 Ų62102.8 Ų102.833%0.32549%0.49SS..Hα-helixtrans-58.5-49.8171-62.6171.2000110.9L272 P273 R274 R279 I280 E281L272-L277 HydrophobicContact CB-CD1 4.29Å; L272-L277 HydrophobicContact CB-CD2 3.94Å; L272-L277 HydrophobicContact CB-CG 4.08Å; L272-L277 HydrophobicContact CD1-CD2 3.83Å; P273-L277 PolarHBondContact O-N 2.93Å; R274-L277 WeakPolarHBondContact O-CB 3.4Å; R274-L277 PolarHBondContact O-N 2.9Å; L277-R279 PolarHBondContact O-N 3.47Å; L277-I280 PolarHBondContact O-N 3.49Å; L277-E281 WeakPolarHBondContact O-CG 3.29Å; L277-E281 PolarHBondContact O-N 3.19Å
278D76.9Confident69.6Low66 Ų66101.6 Ų101.635%0.35349%0.488SS..Hα-helixtrans-54.3-22.7175.1-61-14000113.4R274 R282R274-D278 WeakPolarHBondContact O-CB 3.28Å; R274-D278 PolarHBondContact O-N 3.26Å; D278-R282 WeakPolarHBondContact O-CD 3.43Å; D278-R282 VanDerWaalsContact O-CG 3.25Å; D278-R282 WeakPolarHBondContact O-CG 3.46Å; D278-R282 PolarHBondContact O-NE 3.44Å; D278-R282 VanDerWaalsContact O-NE 3.11Å; D278-R282 PolarHBondContact O-NH1 2.71Å
279R74.9Confident69.9Low42 Ų4295.7 Ų95.716%0.15847%0.47CS..Hα-helixtrans-87.4-42.1175.9-176.2-179.5-173.4110.22111.5L276 L277 R282 L283 L313 E316L276-R279 WeakPolarHBondContact O-CB 3.13Å; L276-R279 PolarHBondContact O-N 2.87Å; L276-R279 VanDerWaalsContact O-N 3.16Å; L277-R279 PolarHBondContact O-N 3.47Å; R279-R282 PolarHBondContact O-N 3.25Å; R279-R282 VanDerWaalsContact O-N 3.13Å; R279-L283 PolarHBondContact O-N 2.93Å; R279-L313 HydrophobicContact CB-CD1 4.37Å; R279-E316 IonicContact CZ-OE1 2.73Å; R279-E316 IonicContact CZ-OE2 3.48Å; R279-E316 VanDerWaalsContact NH1-CD 3.32Å; R279-E316 IonicContact NH1-OE1 2.93Å; R279-E316 PolarHBondContact NH1-OE1 3.02Å; R279-E316 IonicContact NH1-OE2 3.33Å; R279-E316 PolarHBondContact NH1-OE2 2.87Å; R279-E316 IonicContact NH2-OE1 3.58Å; R279-E316 PolarHBondContact NH2-OE1 3.02Å; R279-E316 IonicContact NH2-OE2 2.72Å
280I74.9Confident70.3Confident13 Ų1391.8 Ų91.87%0.06745%0.453CS..Hα-helixtrans-67.9-40.5-178.9-63.9154.5000110.5L276 L277 R282 L283 L287 L306L276-I280 HydrophobicContact CD2-CD1 3.69Å; L276-I280 HydrophobicContact CG-CD1 4.18Å; L276-I280 VanDerWaalsContact O-CD1 3.32Å; L276-I280 WeakPolarHBondContact O-CD1 3.4Å; L276-I280 WeakPolarHBondContact O-CG1 3.37Å; L276-I280 PolarHBondContact O-N 3.39Å; L276-I280 VanDerWaalsContact O-N 3.11Å; L277-I280 PolarHBondContact O-N 3.49Å; I280-R282 PolarHBondContact O-N 2.9Å; I280-R282 VanDerWaalsContact O-N 3.1Å; I280-L283 PolarHBondContact O-N 3.46Å; I280-L287 HydrophobicContact CG1-CD2 4.5Å; I280-L287 HydrophobicContact CG2-CD1 4.2Å; I280-L287 HydrophobicContact CG2-CD2 4.44Å; I280-L287 HydrophobicContact CG2-CG 3.98Å; I280-L306 HydrophobicContact CD1-CD2 3.37Å
281E74.3Confident70.5Confident138 Ų13891.6 Ų91.665%0.64546%0.458SS*.THydrogen-bonded Turntrans-61.9-15.3172.8-69.5177.2-171.600113.6L277L277-E281 WeakPolarHBondContact O-CG 3.29Å; L277-E281 PolarHBondContact O-N 3.19Å
282R73.4Confident70.3Confident192 Ų19283.9 Ų83.973%0.72543%0.427SS*.THydrogen-bonded Turntrans-102.5-0.8176.9-64.1175.4-166.814011.8113.6D278 R279 I280D278-R282 WeakPolarHBondContact O-CD 3.43Å; D278-R282 VanDerWaalsContact O-CG 3.25Å; D278-R282 WeakPolarHBondContact O-CG 3.46Å; D278-R282 PolarHBondContact O-NE 3.44Å; D278-R282 VanDerWaalsContact O-NE 3.11Å; D278-R282 PolarHBondContact O-NH1 2.71Å; R279-R282 PolarHBondContact O-N 3.25Å; R279-R282 VanDerWaalsContact O-N 3.13Å; I280-R282 PolarHBondContact O-N 2.9Å; I280-R282 VanDerWaalsContact O-N 3.1Å
283L70.6Confident70.1Confident56 Ų5685.3 Ų85.329%0.29343%0.429SS..SBendtrans-79.4137.6172.6-68.1172.6000109.6R279 I280 H285R279-L283 PolarHBondContact O-N 2.93Å; I280-L283 PolarHBondContact O-N 3.46Å; L283-H285 VanDerWaalsContact CB-O 3.28Å; L283-H285 WeakPolarHBondContact CB-O 3.31Å; L283-H285 PolarHBondContact O-N 3.12Å; L283-H285 VanDerWaalsContact O-N 3.16Å
284P54.3Low69.8Low118 Ų11886.1 Ų86.177%0.76643%0.426SS*.SBendtrans-69.5-10.7-179.830.2-36.5000113.1
285H59.1Low69.2Low143 Ų14381.6 Ų81.666%0.66243%0.434SS*.SBendtrans-126.1130168.8-54.5-25.9000106.9L283L283-H285 VanDerWaalsContact CB-O 3.28Å; L283-H285 WeakPolarHBondContact CB-O 3.31Å; L283-H285 PolarHBondContact O-N 3.12Å; L283-H285 VanDerWaalsContact O-N 3.16Å
286W60.9Low68.6Low200 Ų20080.3 Ų80.376%0.75843%0.433SS*.  trans-59.9157.3161.6-95.839.7000109.5T288W286-T288 PolarHBondContact O-N 2.99Å
287L68.5Low67.8Low22 Ų2284.7 Ų84.712%0.11545%0.454CS..  trans-39.1120.6-175.1-67.1164.2000111.7I280 S289 G290 E305 L306I280-L287 HydrophobicContact CG1-CD2 4.5Å; I280-L287 HydrophobicContact CG2-CD1 4.2Å; I280-L287 HydrophobicContact CG2-CD2 4.44Å; I280-L287 HydrophobicContact CG2-CG 3.98Å; L287-S289 PolarHBondContact O-N 3.32Å; L287-S289 VanDerWaalsContact O-N 3.15Å; L287-G290 PolarHBondContact O-N 3.34Å; L287-E305 WeakPolarHBondContact CB-OE2 3.39Å; L287-E305 HydrophobicContact CD2-CB 4.04Å; L287-L306 HydrophobicContact CD1-CD2 3.83Å; L287-L306 HydrophobicContact CD1-CG 4.14Å; L287-L306 HydrophobicContact CD2-CD2 4.48Å
288T63.6Low67.5Low125 Ų12583.3 Ų83.377%0.76745%0.447SS*.THydrogen-bonded Turntrans-59.9-27.2-174.920.10000112.5W286 G290 E305W286-T288 PolarHBondContact O-N 2.99Å; T288-G290 VanDerWaalsContact C-N 3.32Å; T288-E305 WeakPolarHBondContact CB-OE1 3.29Å; T288-E305 PolarHBondContact N-OE2 2.89Å; T288-E305 PolarHBondContact OG1-OE1 3.32Å
289S63.5Low67.4Low30 Ų3081.3 Ų81.321%0.2144%0.436CS..THydrogen-bonded Turntrans-88.315.4176.7-61.50000114.2L287 N299 E305L287-S289 PolarHBondContact O-N 3.32Å; L287-S289 VanDerWaalsContact O-N 3.15Å; S289-N299 PolarHBondContact O-ND2 3.42Å; S289-E305 VanDerWaalsContact CB-CD 3.47Å; S289-E305 WeakPolarHBondContact CB-OE1 3.03Å; S289-E305 WeakPolarHBondContact CB-OE2 3.42Å; S289-E305 PolarHBondContact N-OE1 2.7Å; S289-E305 PolarHBondContact N-OE2 3.42Å; S289-E305 PolarHBondContact OG-OE1 3.19Å
290G70.1Confident67.4Low34 Ų3484.7 Ų84.735%0.35146%0.456SS..  trans87.3-14717100000115L287 T288L287-G290 PolarHBondContact O-N 3.34Å; T288-G290 VanDerWaalsContact C-N 3.32Å
291S70.3Confident67.5Low63 Ų6389.4 Ų89.444%0.44148%0.481SS..  trans-93.5146.9-176.651.10000112.2Y293 E294 N299S291-Y293 CarbonylContact O-C 3.58Å; S291-Y293 PolarHBondContact O-N 2.91Å; S291-Y293 PolarHBondContact OG-O 2.95Å; S291-E294 PolarHBondContact N-OE1 2.95Å; S291-N299 WeakPolarHBondContact O-CB 3.48Å
292V68.8Low67.6Low31 Ų3182.9 Ų82.919%0.18845%0.451CS..SBendtrans-51.9-32-177.7-1670000112.8L270 L272 L298 N299 L306L270-V292 HydrophobicContact CD1-CG1 4.14Å; L272-V292 HydrophobicContact CD1-CG2 4.19Å; V292-L298 HydrophobicContact CG1-CD1 4.22Å; V292-L298 WeakPolarHBondContact O-CD1 3.49Å; V292-N299 PolarHBondContact O-N 3.07Å; V292-L306 HydrophobicContact CG1-CD1 4.2Å; V292-L306 HydrophobicContact CG2-CD1 4.13Å
293Y70.7Confident67.9Low86 Ų8675.7 Ų75.734%0.33743%0.428SS..EExtended strand (participates in β ladder)trans-121.3138.8167.5-58.8-88.4000109.8R268 L270 S291 Q297 L298R268-Y293 PolarHBondContact O-OH 3.13Å; L270-Y293 PolarHBondContact N-OH 2.9Å; S291-Y293 CarbonylContact O-C 3.58Å; S291-Y293 PolarHBondContact O-N 2.91Å; S291-Y293 PolarHBondContact OG-O 2.95Å; Y293-Q297 CarbonylContact C-O 3.59Å; Y293-Q297 WeakPolarHBondContact CA-O 3.23Å; Y293-L298 HydrophobicContact CD1-CB 4.44Å; Y293-L298 HydrophobicContact CD1-CD1 4.17Å; Y293-L298 HydrophobicContact CE1-CB 4.34Å; Y293-L298 HydrophobicContact CE1-CD1 3.7Å
294E70.8Confident68.3Low90 Ų9078.7 Ų78.742%0.42144%0.442SS..EExtended strand (participates in β ladder)trans-131.1133.3173.3-79.2174.2-152.200108.6S291 G296 Q297 N299S291-E294 PolarHBondContact N-OE1 2.95Å; E294-G296 PolarHBondContact O-N 2.91Å; E294-Q297 PolarHBondContact N-O 2.88Å; E294-Q297 PolarHBondContact O-N 3.06Å; E294-N299 VanDerWaalsContact CD-ND2 3.3Å; E294-N299 PolarHBondContact OE1-ND2 3.1Å
295A60.1Low69.6Low114 Ų11474.6 Ų74.694%0.94241%0.412SS*.THydrogen-bonded Turntrans5116.2-171.400000115.9
296G61.3Low70.7Confident51 Ų5168.2 Ų68.253%0.52638%0.383SS..THydrogen-bonded Turntrans93.6-9.4-174.500000114.8E294E294-G296 PolarHBondContact O-N 2.91Å
297Q60.7Low71.8Confident102 Ų10263.4 Ų63.448%0.47737%0.372SS..EExtended strand (participates in β ladder)trans-92.8159.1175.1-57.6-167-70.200111.2D264 Y293 E294D264-Q297 PolarHBondContact OD1-NE2 2.66Å; Y293-Q297 CarbonylContact C-O 3.59Å; Y293-Q297 WeakPolarHBondContact CA-O 3.23Å; E294-Q297 PolarHBondContact N-O 2.88Å; E294-Q297 PolarHBondContact O-N 3.06Å
298L70.4Confident72.5Confident34 Ų3467.1 Ų67.118%0.17839%0.392CS..EExtended strand (participates in β ladder)trans-82.4119.5-177.9-176.772.9000110.9L270 V292 Y293 L300 V303L270-L298 HydrophobicContact CD1-CD1 3.6Å; L270-L298 HydrophobicContact CD1-CD2 4.37Å; L270-L298 HydrophobicContact CG-CD1 4.03Å; V292-L298 HydrophobicContact CG1-CD1 4.22Å; V292-L298 WeakPolarHBondContact O-CD1 3.49Å; Y293-L298 HydrophobicContact CD1-CB 4.44Å; Y293-L298 HydrophobicContact CD1-CD1 4.17Å; Y293-L298 HydrophobicContact CE1-CB 4.34Å; Y293-L298 HydrophobicContact CE1-CD1 3.7Å; L298-L300 HydrophobicContact CD2-CD2 4.41Å; L298-L300 PolarHBondContact O-N 3.39Å; L298-L300 VanDerWaalsContact O-N 3.14Å; L298-V303 HydrophobicContact CD1-CG2 3.94Å; L298-V303 HydrophobicContact CD2-CG2 4.18Å; L298-V303 HydrophobicContact CG-CG2 4.01Å
299N75.3Confident73.4Confident23 Ų2363 Ų6312%0.12336%0.364CS..  trans-76.6103.3177.6-179-30.7000110.3S289 S291 V292 E294 L301 C302 V303S289-N299 PolarHBondContact O-ND2 3.42Å; S291-N299 WeakPolarHBondContact O-CB 3.48Å; V292-N299 PolarHBondContact O-N 3.07Å; E294-N299 VanDerWaalsContact CD-ND2 3.3Å; E294-N299 PolarHBondContact OE1-ND2 3.1Å; N299-L301 VanDerWaalsContact C-N 3.32Å; N299-L301 PolarHBondContact O-N 3.48Å; N299-L301 WeakPolarHBondContact OD1-CB 3.42Å; N299-L301 PolarHBondContact OD1-N 2.94Å; N299-C302 HydrophobicContact CB-CB 3.96Å; N299-C302 WeakPolarHBondContact O-CB 3.42Å; N299-C302 PolarHBondContact O-N 3.01Å; N299-C302 PolarHBondContact OD1-N 3.09Å; N299-V303 WeakPolarHBondContact O-CG2 3.5Å; N299-V303 PolarHBondContact O-N 2.88Å
300L74.9Confident74.4Confident113 Ų11362.9 Ų62.959%0.59237%0.365SS*.Hα-helixtrans-64.9-30.7-176.9-67.8174.2000113.7L298 V303 M304L298-L300 HydrophobicContact CD2-CD2 4.41Å; L298-L300 PolarHBondContact O-N 3.39Å; L298-L300 VanDerWaalsContact O-N 3.14Å; L300-V303 PolarHBondContact O-N 2.78Å; L300-M304 WeakPolarHBondContact O-CG 3.48Å; L300-M304 PolarHBondContact O-N 3.34Å
301L75.3Confident75Confident113 Ų11365.8 Ų65.859%0.59237%0.372SS*.Hα-helixtrans-68.8-45.2176.7-62.3174.3000110.3N299 V303 M304 E305N299-L301 VanDerWaalsContact C-N 3.32Å; N299-L301 PolarHBondContact O-N 3.48Å; N299-L301 WeakPolarHBondContact OD1-CB 3.42Å; N299-L301 PolarHBondContact OD1-N 2.94Å; L301-V303 VanDerWaalsContact C-N 3.28Å; L301-V303 PolarHBondContact O-N 2.88Å; L301-M304 PolarHBondContact O-N 3.35Å; L301-M304 VanDerWaalsContact O-N 3.08Å; L301-E305 PolarHBondContact O-N 3.16Å
302C77.6Confident75.6Confident0 Ų066.9 Ų66.90%037%0.37CS..Hα-helixtrans-56.8-41.2170.3175.80000111.4N299 M304 E305 L306N299-C302 HydrophobicContact CB-CB 3.96Å; N299-C302 WeakPolarHBondContact O-CB 3.42Å; N299-C302 PolarHBondContact O-N 3.01Å; N299-C302 PolarHBondContact OD1-N 3.09Å; C302-M304 VanDerWaalsContact C-N 3.33Å; C302-M304 PolarHBondContact O-N 2.77Å; C302-E305 PolarHBondContact O-N 3.26Å; C302-L306 WeakPolarHBondContact O-CB 3.49Å; C302-L306 WeakPolarHBondContact O-CD1 3.4Å; C302-L306 WeakPolarHBondContact O-CG 3.43Å; C302-L306 PolarHBondContact O-N 3.43Å
303V79.9Confident76.3Confident42 Ų4267 Ų6726%0.25537%0.369SS..Hα-helixtrans-64.6-34.3175.7174.90000112.7L270 L298 N299 L300 L301 L307L270-V303 HydrophobicContact CD1-CG2 3.63Å; L298-V303 HydrophobicContact CD1-CG2 3.94Å; L298-V303 HydrophobicContact CD2-CG2 4.18Å; L298-V303 HydrophobicContact CG-CG2 4.01Å; N299-V303 WeakPolarHBondContact O-CG2 3.5Å; N299-V303 PolarHBondContact O-N 2.88Å; L300-V303 PolarHBondContact O-N 2.78Å; L301-V303 VanDerWaalsContact C-N 3.28Å; L301-V303 PolarHBondContact O-N 2.88Å; V303-L307 WeakPolarHBondContact O-CB 3.44Å; V303-L307 PolarHBondContact O-N 3.27Å
304M79.3Confident76.8Confident118 Ų11868.6 Ų68.658%0.58138%0.383SS*.Hα-helixtrans-71.3-39.6173.5-72179.764.900112.7L300 L301 C302 L307 N308L300-M304 WeakPolarHBondContact O-CG 3.48Å; L300-M304 PolarHBondContact O-N 3.34Å; L301-M304 PolarHBondContact O-N 3.35Å; L301-M304 VanDerWaalsContact O-N 3.08Å; C302-M304 VanDerWaalsContact C-N 3.33Å; C302-M304 PolarHBondContact O-N 2.77Å; M304-L307 PolarHBondContact O-N 3.06Å; M304-N308 WeakPolarHBondContact O-CB 3.18Å; M304-N308 PolarHBondContact O-N 2.82Å; M304-N308 PolarHBondContact O-ND2 2.95Å
305E80.9Confident77.1Confident32 Ų3271.9 Ų71.915%0.1540%0.396CS..Hα-helixtrans-60.2-46.6171.1-70.9-178.1170.900111.3L287 T288 S289 L301 C302 L307 N308 H309L287-E305 WeakPolarHBondContact CB-OE2 3.39Å; L287-E305 HydrophobicContact CD2-CB 4.04Å; T288-E305 WeakPolarHBondContact CB-OE1 3.29Å; T288-E305 PolarHBondContact N-OE2 2.89Å; T288-E305 PolarHBondContact OG1-OE1 3.32Å; S289-E305 VanDerWaalsContact CB-CD 3.47Å; S289-E305 WeakPolarHBondContact CB-OE1 3.03Å; S289-E305 WeakPolarHBondContact CB-OE2 3.42Å; S289-E305 PolarHBondContact N-OE1 2.7Å; S289-E305 PolarHBondContact N-OE2 3.42Å; S289-E305 PolarHBondContact OG-OE1 3.19Å; L301-E305 PolarHBondContact O-N 3.16Å; C302-E305 PolarHBondContact O-N 3.26Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.87Å; E305-N308 PolarHBondContact O-N 3.32Å; E305-H309 PolarHBondContact O-CD2 3.02Å; E305-H309 VanDerWaalsContact O-CD2 3.31Å; E305-H309 PolarHBondContact O-N 3.09Å
306L83Confident78.1Confident9 Ų969.2 Ų69.25%0.04736%0.364CS..Hα-helixtrans-57.7-43.7174.8-71.7165.3000111.9L272 L276 I280 L287 V292 C302 H309 A310L272-L306 HydrophobicContact CD2-CD1 4.08Å; L272-L306 HydrophobicContact CD2-CD2 4.16Å; L276-L306 HydrophobicContact CD2-CD2 3.66Å; I280-L306 HydrophobicContact CD1-CD2 3.37Å; L287-L306 HydrophobicContact CD1-CD2 3.83Å; L287-L306 HydrophobicContact CD1-CG 4.14Å; L287-L306 HydrophobicContact CD2-CD2 4.48Å; V292-L306 HydrophobicContact CG1-CD1 4.2Å; V292-L306 HydrophobicContact CG2-CD1 4.13Å; C302-L306 WeakPolarHBondContact O-CB 3.49Å; C302-L306 WeakPolarHBondContact O-CD1 3.4Å; C302-L306 WeakPolarHBondContact O-CG 3.43Å; C302-L306 PolarHBondContact O-N 3.43Å; L306-H309 PolarHBondContact O-N 3.1Å; L306-A310 PolarHBondContact O-N 3.25Å
307L82.6Confident78.8Confident100 Ų10070.9 Ų70.952%0.52436%0.358SS..Hα-helixtrans-66.2-40.5177-177.461.9000112V303 M304 E305 H309 A310 L311V303-L307 WeakPolarHBondContact O-CB 3.44Å; V303-L307 PolarHBondContact O-N 3.27Å; M304-L307 PolarHBondContact O-N 3.06Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.87Å; L307-H309 VanDerWaalsContact C-N 3.35Å; L307-H309 PolarHBondContact O-N 3.45Å; L307-A310 WeakPolarHBondContact O-CB 3.24Å; L307-A310 PolarHBondContact O-N 2.8Å; L307-A310 VanDerWaalsContact O-N 3.15Å; L307-L311 HydrophobicContact CG-CD1 4.28Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.75Å
308N84.6Confident79.1Confident100 Ų10075.8 Ų75.854%0.53537%0.372SS..Hα-helixtrans-61.7-42.2175.4-76.7-29.7000111.6M304 E305 L311 Q312M304-N308 WeakPolarHBondContact O-CB 3.18Å; M304-N308 PolarHBondContact O-N 2.82Å; M304-N308 PolarHBondContact O-ND2 2.95Å; E305-N308 PolarHBondContact O-N 3.32Å; N308-L311 PolarHBondContact O-N 2.97Å; N308-Q312 WeakPolarHBondContact O-CB 3.49Å; N308-Q312 PolarHBondContact O-N 3.3Å
309H82.6Confident78.8Confident38 Ų3877.8 Ų77.818%0.17639%0.389CS..Hα-helixtrans-68-31.6173.1-69-46.6000113.3E305 L306 L307 Q312 L313E305-H309 PolarHBondContact O-CD2 3.02Å; E305-H309 VanDerWaalsContact O-CD2 3.31Å; E305-H309 PolarHBondContact O-N 3.09Å; L306-H309 PolarHBondContact O-N 3.1Å; L307-H309 VanDerWaalsContact C-N 3.35Å; L307-H309 PolarHBondContact O-N 3.45Å; H309-Q312 PolarHBondContact ND1-OE1 3.48Å; H309-Q312 PolarHBondContact O-N 3.33Å; H309-L313 PolarHBondContact O-N 3.34Å
310A83.7Confident78.4Confident27 Ų2784.7 Ų84.722%0.22341%0.413CS..Hα-helixtrans-64.5-45.7171.400000111.8L276 L306 L307 Q312 L313 L314L276-A310 HydrophobicContact CD1-CB 3.48Å; L276-A310 VanDerWaalsContact CD1-CB 3.48Å; L306-A310 PolarHBondContact O-N 3.25Å; L307-A310 WeakPolarHBondContact O-CB 3.24Å; L307-A310 PolarHBondContact O-N 2.8Å; L307-A310 VanDerWaalsContact O-N 3.15Å; A310-Q312 VanDerWaalsContact C-N 3.3Å; A310-Q312 PolarHBondContact O-N 3.11Å; A310-L313 PolarHBondContact O-N 3.48Å; A310-L314 WeakPolarHBondContact O-CG 3.49Å; A310-L314 PolarHBondContact O-N 2.84Å
311L83.3Confident77.8Confident96 Ų9685.2 Ų85.250%0.50342%0.421SS..Hα-helixtrans-64.5-35.9175.9-68.9170.4000111.6L307 N308 L314 K315L307-L311 HydrophobicContact CG-CD1 4.28Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.75Å; N308-L311 PolarHBondContact O-N 2.97Å; L311-L314 PolarHBondContact O-N 3Å; L311-K315 VanDerWaalsContact O-CB 3.31Å; L311-K315 WeakPolarHBondContact O-CB 3.14Å; L311-K315 PolarHBondContact O-N 3.3Å
312Q82.6Confident76.9Confident85 Ų8583.5 Ų83.540%0.39742%0.419SS..Hα-helixtrans-66.3-44.3174.9-158.8-177.514.100111.8N308 H309 A310 K315 E316N308-Q312 WeakPolarHBondContact O-CB 3.49Å; N308-Q312 PolarHBondContact O-N 3.3Å; H309-Q312 PolarHBondContact ND1-OE1 3.48Å; H309-Q312 PolarHBondContact O-N 3.33Å; A310-Q312 VanDerWaalsContact C-N 3.3Å; A310-Q312 PolarHBondContact O-N 3.11Å; Q312-K315 PolarHBondContact O-N 3.37Å; Q312-E316 WeakPolarHBondContact O-CG 3.24Å; Q312-E316 PolarHBondContact O-N 2.96Å
313L82.7Confident75.7Confident34 Ų3488.4 Ų88.418%0.17845%0.45CS..Hα-helixtrans-58.2-46.9171.5-83164000112C275 L276 R279 H309 A310 K315 E316 E317C275-L313 WeakPolarHBondContact O-CD1 3.37Å; L276-L313 HydrophobicContact CB-CD1 4.32Å; L276-L313 HydrophobicContact CD1-CD1 4.21Å; L276-L313 HydrophobicContact CG-CD1 4.48Å; R279-L313 HydrophobicContact CB-CD1 4.37Å; H309-L313 PolarHBondContact O-N 3.34Å; A310-L313 PolarHBondContact O-N 3.48Å; L313-K315 VanDerWaalsContact C-N 3.31Å; L313-K315 PolarHBondContact O-N 3.12Å; L313-E316 PolarHBondContact O-N 3.28Å; L313-E317 WeakPolarHBondContact O-CG 3.33Å; L313-E317 PolarHBondContact O-N 3.31Å
314L80.6Confident74.1Confident119 Ų11991.8 Ų91.862%0.62348%0.483SS*.Hα-helixtrans-64.3-34.9178.1-70.6169.6000112.4A310 L311 R318A310-L314 WeakPolarHBondContact O-CG 3.49Å; A310-L314 PolarHBondContact O-N 2.84Å; L311-L314 PolarHBondContact O-N 3Å; L314-R318 WeakPolarHBondContact O-CB 3.29Å; L314-R318 PolarHBondContact O-N 2.96Å
315K78.4Confident72.8Confident159 Ų15989.9 Ų89.969%0.69149%0.486SS*.Hα-helixtrans-68.3-40.8174.4-173.6178.7179-177.90111.8L311 Q312 L313 S319L311-K315 VanDerWaalsContact O-CB 3.31Å; L311-K315 WeakPolarHBondContact O-CB 3.14Å; L311-K315 PolarHBondContact O-N 3.3Å; Q312-K315 PolarHBondContact O-N 3.37Å; L313-K315 VanDerWaalsContact C-N 3.31Å; L313-K315 PolarHBondContact O-N 3.12Å; K315-S319 PolarHBondContact O-N 2.86Å
316E81.2Confident71.7Confident59 Ų5994.8 Ų94.828%0.27651%0.509SS..Hα-helixtrans-69.4-46.5177.7-75.6167.5-154.700111.8R279 Q312 L313 R318 S319 R320R279-E316 IonicContact CZ-OE1 2.73Å; R279-E316 IonicContact CZ-OE2 3.48Å; R279-E316 VanDerWaalsContact NH1-CD 3.32Å; R279-E316 IonicContact NH1-OE1 2.93Å; R279-E316 PolarHBondContact NH1-OE1 3.02Å; R279-E316 IonicContact NH1-OE2 3.33Å; R279-E316 PolarHBondContact NH1-OE2 2.87Å; R279-E316 IonicContact NH2-OE1 3.58Å; R279-E316 PolarHBondContact NH2-OE1 3.02Å; R279-E316 IonicContact NH2-OE2 2.72Å; Q312-E316 WeakPolarHBondContact O-CG 3.24Å; Q312-E316 PolarHBondContact O-N 2.96Å; L313-E316 PolarHBondContact O-N 3.28Å; E316-R318 VanDerWaalsContact C-N 3.32Å; E316-R318 PolarHBondContact O-N 3.13Å; E316-S319 WeakPolarHBondContact CA-OG 3.45Å; E316-S319 WeakPolarHBondContact O-CA 3.27Å; E316-S319 PolarHBondContact O-N 3.29Å; E316-S319 PolarHBondContact O-OG 3.25Å; E316-R320 WeakPolarHBondContact O-CG 3.43Å; E316-R320 PolarHBondContact O-N 3.36Å
317E75.7Confident70.4Confident86 Ų8697.7 Ų97.740%0.40253%0.528SS..Hα-helixtrans-61.3-40.5173.6-72.2-58.8118.400111.5L313 S319 R320 V321L313-E317 WeakPolarHBondContact O-CG 3.33Å; L313-E317 PolarHBondContact O-N 3.31Å; E317-S319 VanDerWaalsContact C-N 3.29Å; E317-S319 PolarHBondContact O-N 2.95Å; E317-R320 PolarHBondContact O-N 3.3Å; E317-R320 WeakPolarHBondContact OE1-CD 3.43Å; E317-R320 IonicContact OE1-CZ 3.57Å; E317-R320 IonicContact OE1-NE 3.17Å; E317-R320 IonicContact OE1-NH1 3.6Å; E317-R320 PolarHBondContact OE1-NH1 3.18Å; E317-V321 WeakPolarHBondContact O-CG2 3.32Å; E317-V321 PolarHBondContact O-N 2.98Å
318R67.4Low69.5Low205 Ų20596.9 Ų96.977%0.77453%0.529SS*.Hα-helixtrans-60-36.2171.5-178.2177176.6-178.3-1.1112.7L314 E316 S322L314-R318 WeakPolarHBondContact O-CB 3.29Å; L314-R318 PolarHBondContact O-N 2.96Å; E316-R318 VanDerWaalsContact C-N 3.32Å; E316-R318 PolarHBondContact O-N 3.13Å; R318-S322 WeakPolarHBondContact O-CB 3.24Å; R318-S322 PolarHBondContact O-N 3.29Å
319S64.1Low68.5Low75 Ų7597 Ų9752%0.52454%0.535SS..Hα-helixtrans-72.6-36.3174.167.60000113.3K315 E316 E317 V321 S322K315-S319 PolarHBondContact O-N 2.86Å; E316-S319 WeakPolarHBondContact CA-OG 3.45Å; E316-S319 WeakPolarHBondContact O-CA 3.27Å; E316-S319 PolarHBondContact O-N 3.29Å; E316-S319 PolarHBondContact O-OG 3.25Å; E317-S319 VanDerWaalsContact C-N 3.29Å; E317-S319 PolarHBondContact O-N 2.95Å; S319-V321 VanDerWaalsContact C-N 3.32Å; S319-V321 PolarHBondContact O-N 3.28Å; S319-S322 CarbonylContact O-C 3.55Å; S319-S322 PolarHBondContact O-N 3.26Å
320R67.3Low67.7Low168 Ų16898.6 Ų98.663%0.63456%0.555SS**Hα-helixtrans-66-34176.2-74.3167.1170.8-175.1-3.2112.4E316 E317 S322 P323E316-R320 WeakPolarHBondContact O-CG 3.43Å; E316-R320 PolarHBondContact O-N 3.36Å; E317-R320 PolarHBondContact O-N 3.3Å; E317-R320 WeakPolarHBondContact OE1-CD 3.43Å; E317-R320 IonicContact OE1-CZ 3.57Å; E317-R320 IonicContact OE1-NE 3.17Å; E317-R320 IonicContact OE1-NH1 3.6Å; E317-R320 PolarHBondContact OE1-NH1 3.18Å; R320-S322 PolarHBondContact O-N 2.73Å; R320-P323 WeakPolarHBondContact O-CD 3.37Å
321V60.8Low66.9Low124 Ų12499.4 Ų99.475%0.75256%0.562SS**THydrogen-bonded Turntrans-76.8-6.4173.8173.50000112.6E317 S319E317-V321 WeakPolarHBondContact O-CG2 3.32Å; E317-V321 PolarHBondContact O-N 2.98Å; S319-V321 VanDerWaalsContact C-N 3.32Å; S319-V321 PolarHBondContact O-N 3.28Å
322S57.7Low66.4Low78 Ų7899.6 Ų99.655%0.54556%0.556SS.*  trans-140.346-169.8-170.50000117.5R318 S319 R320R318-S322 WeakPolarHBondContact O-CB 3.24Å; R318-S322 PolarHBondContact O-N 3.29Å; S319-S322 CarbonylContact O-C 3.55Å; S319-S322 PolarHBondContact O-N 3.26Å; R320-S322 PolarHBondContact O-N 2.73Å
323P50.5Low66.1Low102 Ų102103.9 Ų103.966%0.66257%0.568SS**SBendtrans-82.8136.315733.7-30.6000111.3R320 A325R320-P323 WeakPolarHBondContact O-CD 3.37Å; P323-A325 PolarHBondContact O-N 2.63Å
324A47.4Very low65.9Low114 Ų114108.2 Ų108.294%0.94259%0.591SS**SBendtrans63.433.116600000118.9
325A51Low65.9Low78 Ų78108.3 Ų108.365%0.64559%0.588SS**  trans-113.5139.3151.100000109.2P323P323-A325 PolarHBondContact O-N 2.63Å
326E58.1Low66.2Low134 Ų134106.1 Ų106.163%0.62658%0.58SS**PPolyproline II helixtrans-59.2150.2170.2-72.2-145.211300110.6P328 R332E326-P328 WeakPolarHBondContact O-CD 3.32Å; E326-P328 VanDerWaalsContact O-N 3.12Å; E326-R332 IonicContact OE1-CZ 2.75Å; E326-R332 VanDerWaalsContact OE1-CZ 3.31Å; E326-R332 IonicContact OE1-NH1 2.63Å; E326-R332 PolarHBondContact OE1-NH1 3.24Å; E326-R332 IonicContact OE1-NH2 3.33Å; E326-R332 PolarHBondContact OE1-NH2 3Å; E326-R332 IonicContact OE2-CZ 3.19Å; E326-R332 IonicContact OE2-NH1 3.43Å; E326-R332 PolarHBondContact OE2-NH1 3.46Å; E326-R332 IonicContact OE2-NH2 3.53Å
327P56.7Low66.5Low70 Ų70108.8 Ų108.846%0.45559%0.592SS.*PPolyproline II helixtrans-52.7123.7167.623.6-33.3000108.2A331 R332P327-A331 HydrophobicContact CB-CB 4.44Å; P327-R332 HydrophobicContact CG-CG 4.14Å
328P62.8Low67.1Low84 Ų84111.2 Ų111.255%0.54560%0.602SS.*PPolyproline II helixtrans-51.4148.9-172.3-30.535.3000111.6E326 A330 A331 R332E326-P328 WeakPolarHBondContact O-CD 3.32Å; E326-P328 VanDerWaalsContact O-N 3.12Å; P328-A330 PolarHBondContact O-N 3.49Å; P328-A331 WeakPolarHBondContact O-CA 3.4Å; P328-A331 WeakPolarHBondContact O-CB 3.29Å; P328-A331 PolarHBondContact O-N 2.94Å; P328-R332 PolarHBondContact O-N 2.91Å
329P63.1Low68.1Low102 Ų102106.3 Ų106.366%0.66259%0.588SS**Hα-helixtrans-57.1-25.8-176.119.9-32000113.2R333P329-R333 WeakPolarHBondContact O-CB 3.47Å; P329-R333 VanDerWaalsContact O-CG 3.28Å; P329-R333 WeakPolarHBondContact O-CG 3.2Å; P329-R333 PolarHBondContact O-N 2.98Å
330A65.7Low69.5Low71 Ų71109.2 Ų109.259%0.58759%0.593SS**Hα-helixtrans-64.2-38.5169.400000113.8P328 L334P328-A330 PolarHBondContact O-N 3.49Å; A330-L334 VanDerWaalsContact O-CB 3.23Å; A330-L334 WeakPolarHBondContact O-CB 3.46Å; A330-L334 PolarHBondContact O-N 2.9Å
331A68Low70.6Confident45 Ų45105.6 Ų105.637%0.37258%0.584SS.*Hα-helixtrans-71.4-41.3177.900000112.2P327 P328 L334 Q335P327-A331 HydrophobicContact CB-CB 4.44Å; P328-A331 WeakPolarHBondContact O-CA 3.4Å; P328-A331 WeakPolarHBondContact O-CB 3.29Å; P328-A331 PolarHBondContact O-N 2.94Å; A331-L334 PolarHBondContact O-N 2.94Å; A331-Q335 WeakPolarHBondContact O-CB 3.42Å; A331-Q335 PolarHBondContact O-N 2.6Å
332R72.1Confident72Confident99 Ų99101.5 Ų101.537%0.37456%0.561SS.*Hα-helixtrans-59.9-51.5171.3-80.7-171.5173137.60.1111.3E326 P327 P328 L334 Q335 E336E326-R332 IonicContact OE1-CZ 2.75Å; E326-R332 VanDerWaalsContact OE1-CZ 3.31Å; E326-R332 IonicContact OE1-NH1 2.63Å; E326-R332 PolarHBondContact OE1-NH1 3.24Å; E326-R332 IonicContact OE1-NH2 3.33Å; E326-R332 PolarHBondContact OE1-NH2 3Å; E326-R332 IonicContact OE2-CZ 3.19Å; E326-R332 IonicContact OE2-NH1 3.43Å; E326-R332 PolarHBondContact OE2-NH1 3.46Å; E326-R332 IonicContact OE2-NH2 3.53Å; P327-R332 HydrophobicContact CG-CG 4.14Å; P328-R332 PolarHBondContact O-N 2.91Å; R332-L334 VanDerWaalsContact C-N 3.31Å; R332-L334 PolarHBondContact O-N 3.49Å; R332-Q335 PolarHBondContact O-N 3.39Å; R332-Q335 VanDerWaalsContact O-N 3.11Å; R332-E336 WeakPolarHBondContact O-CB 3.46Å; R332-E336 VanDerWaalsContact O-CG 3.31Å; R332-E336 WeakPolarHBondContact O-CG 3.36Å; R332-E336 PolarHBondContact O-N 2.89Å
333R76.4Confident73.8Confident176 Ų176106 Ų10666%0.66457%0.566SS**Hα-helixtrans-56.9-40.4175.9-74.5178.3-177.5-162.80.3113.4P329 E336 H337P329-R333 WeakPolarHBondContact O-CB 3.47Å; P329-R333 VanDerWaalsContact O-CG 3.28Å; P329-R333 WeakPolarHBondContact O-CG 3.2Å; P329-R333 PolarHBondContact O-N 2.98Å; R333-E336 WeakPolarHBondContact CA-OE2 3.26Å; R333-E336 PolarHBondContact O-N 2.84Å; R333-H337 VanDerWaalsContact O-CB 3.24Å; R333-H337 WeakPolarHBondContact O-CB 3.34Å; R333-H337 PolarHBondContact O-N 2.9Å
334L78.1Confident75.9Confident124 Ų124104.4 Ų104.465%0.64955%0.554SS**Hα-helixtrans-70.1-35.9178.9-165.7151.6000111.4A330 A331 R332 F338A330-L334 VanDerWaalsContact O-CB 3.23Å; A330-L334 WeakPolarHBondContact O-CB 3.46Å; A330-L334 PolarHBondContact O-N 2.9Å; A331-L334 PolarHBondContact O-N 2.94Å; R332-L334 VanDerWaalsContact C-N 3.31Å; R332-L334 PolarHBondContact O-N 3.49Å; L334-F338 WeakPolarHBondContact O-CB 3.23Å; L334-F338 PolarHBondContact O-N 3.29Å
335Q80.7Confident78.1Confident122 Ų122104 Ų10457%0.5754%0.536SS*.Hα-helixtrans-68.7-42.9172.6-174.4169.2-9.500111.9A331 R332 F338 H339A331-Q335 WeakPolarHBondContact O-CB 3.42Å; A331-Q335 PolarHBondContact O-N 2.6Å; R332-Q335 PolarHBondContact O-N 3.39Å; R332-Q335 VanDerWaalsContact O-N 3.11Å; Q335-F338 PolarHBondContact O-N 2.84Å; Q335-H339 PolarHBondContact O-N 3.45Å; Q335-H339 PolarHBondContact O-ND1 3.38Å
336E85.9Confident80.2Confident112 Ų112106.6 Ų106.652%0.52354%0.535SS..Hα-helixtrans-58.1-49.4172.9-71.8153.7-165.300111R332 R333 F338 H339 Q340R332-E336 WeakPolarHBondContact O-CB 3.46Å; R332-E336 VanDerWaalsContact O-CG 3.31Å; R332-E336 WeakPolarHBondContact O-CG 3.36Å; R332-E336 PolarHBondContact O-N 2.89Å; R333-E336 WeakPolarHBondContact CA-OE2 3.26Å; R333-E336 PolarHBondContact O-N 2.84Å; E336-F338 VanDerWaalsContact C-N 3.32Å; E336-F338 PolarHBondContact O-N 3.1Å; E336-H339 PolarHBondContact O-N 3.45Å; E336-H339 VanDerWaalsContact O-N 3.15Å; E336-Q340 PolarHBondContact O-N 2.97Å
337H87.1Confident81.9Confident115 Ų115104.7 Ų104.753%0.53253%0.529SS..Hα-helixtrans-60.4-38.3175.5-173.7-85.2000112.3R333 Q340 M341R333-H337 VanDerWaalsContact O-CB 3.24Å; R333-H337 WeakPolarHBondContact O-CB 3.34Å; R333-H337 PolarHBondContact O-N 2.9Å; H337-Q340 PolarHBondContact O-N 2.66Å; H337-M341 VanDerWaalsContact O-CB 3.31Å; H337-M341 WeakPolarHBondContact O-CB 3.34Å; H337-M341 PolarHBondContact O-N 2.88Å
338F87.4Confident83.8Confident137 Ų137106 Ų10660%0.60153%0.532SS*.Hα-helixtrans-64.9-40.1175.1-166-85.8000112.1L334 Q335 E336 S342L334-F338 WeakPolarHBondContact O-CB 3.23Å; L334-F338 PolarHBondContact O-N 3.29Å; Q335-F338 PolarHBondContact O-N 2.84Å; E336-F338 VanDerWaalsContact C-N 3.32Å; E336-F338 PolarHBondContact O-N 3.1Å; F338-S342 VanDerWaalsContact O-CB 3.31Å; F338-S342 WeakPolarHBondContact O-CB 3.43Å; F338-S342 PolarHBondContact O-N 3.09Å; F338-S342 PolarHBondContact O-OG 3.02Å
339H90.1Very high85.3Confident103 Ų103108 Ų10848%0.47753%0.533SS..Hα-helixtrans-68-38.4174.5-7374000111.9Q335 E336 S342 R343Q335-H339 PolarHBondContact O-N 3.45Å; Q335-H339 PolarHBondContact O-ND1 3.38Å; E336-H339 PolarHBondContact O-N 3.45Å; E336-H339 VanDerWaalsContact O-N 3.15Å; H339-S342 PolarHBondContact O-N 2.97Å; H339-R343 WeakPolarHBondContact O-CG 3.48Å; H339-R343 PolarHBondContact O-N 3.48Å
340Q93.3Very high86.8Confident136 Ų136108.9 Ų108.964%0.63653%0.532SS*.Hα-helixtrans-67.7-44.1177.3-169.6165.6-0.400111.7E336 H337 S342 R343 V344E336-Q340 PolarHBondContact O-N 2.97Å; H337-Q340 PolarHBondContact O-N 2.66Å; Q340-S342 VanDerWaalsContact C-N 3.32Å; Q340-S342 PolarHBondContact O-N 3.2Å; Q340-R343 PolarHBondContact O-N 3.45Å; Q340-V344 WeakPolarHBondContact O-CG2 3.3Å; Q340-V344 PolarHBondContact O-N 3.28Å
341M89.7Confident88.2Confident91 Ų91109.8 Ų109.845%0.44853%0.526SS..Hα-helixtrans-61.1-40.9172.5-16864.566.600111.6H337 R343 V344 L345H337-M341 VanDerWaalsContact O-CB 3.31Å; H337-M341 WeakPolarHBondContact O-CB 3.34Å; H337-M341 PolarHBondContact O-N 2.88Å; M341-R343 VanDerWaalsContact C-N 3.32Å; M341-R343 PolarHBondContact O-N 2.92Å; M341-V344 PolarHBondContact O-N 3.17Å; M341-L345 HydrophobicContact CG-CD1 4.29Å; M341-L345 WeakPolarHBondContact O-CB 3.43Å; M341-L345 WeakPolarHBondContact O-CG 3.5Å; M341-L345 PolarHBondContact O-N 2.99Å
342S90.8Very high89.5Confident39 Ų39115.9 Ų115.927%0.27354%0.539SS..Hα-helixtrans-62.7-36.4176.7-60.70000112.6F338 H339 Q340 Q346F338-S342 VanDerWaalsContact O-CB 3.31Å; F338-S342 WeakPolarHBondContact O-CB 3.43Å; F338-S342 PolarHBondContact O-N 3.09Å; F338-S342 PolarHBondContact O-OG 3.02Å; H339-S342 PolarHBondContact O-N 2.97Å; Q340-S342 VanDerWaalsContact C-N 3.32Å; Q340-S342 PolarHBondContact O-N 3.2Å; S342-Q346 VanDerWaalsContact O-CG 3.27Å; S342-Q346 WeakPolarHBondContact O-CG 3.15Å; S342-Q346 PolarHBondContact O-N 3.28Å; S342-Q346 VanDerWaalsContact O-N 3.16Å
343R94.1Very high90.5Very high171 Ų171115.7 Ų115.765%0.64554%0.543SS*.Hα-helixtrans-67.1-50.5173.1-71.8174.5-176.6179.81.6111.4H339 Q340 M341 L345 Q346 D347H339-R343 WeakPolarHBondContact O-CG 3.48Å; H339-R343 PolarHBondContact O-N 3.48Å; Q340-R343 PolarHBondContact O-N 3.45Å; M341-R343 VanDerWaalsContact C-N 3.32Å; M341-R343 PolarHBondContact O-N 2.92Å; R343-L345 PolarHBondContact O-N 3.37Å; R343-Q346 CarbonylContact O-C 3.47Å; R343-Q346 WeakPolarHBondContact O-CA 3.3Å; R343-Q346 WeakPolarHBondContact O-CB 3.36Å; R343-Q346 PolarHBondContact O-N 3.38Å; R343-D347 PolarHBondContact O-N 2.83Å
344V94.6Very high91.4Very high69 Ų69111.3 Ų111.342%0.41853%0.529SS..Hα-helixtrans-57.2-37.7178173.10000111.8Q340 M341 D347 L348Q340-V344 WeakPolarHBondContact O-CG2 3.3Å; Q340-V344 PolarHBondContact O-N 3.28Å; M341-V344 PolarHBondContact O-N 3.17Å; V344-D347 PolarHBondContact O-N 2.86Å; V344-L348 HydrophobicContact CG1-CD1 4.03Å; V344-L348 HydrophobicContact CG1-CG 4.47Å; V344-L348 WeakPolarHBondContact O-CB 3.34Å; V344-L348 VanDerWaalsContact O-CG 3.28Å; V344-L348 WeakPolarHBondContact O-CG 3.39Å; V344-L348 PolarHBondContact O-N 3.42Å
345L94.4Very high92.2Very high106 Ų106108.9 Ų108.956%0.55552%0.516SS*.Hα-helixtrans-67.1-35.9173.8-72.6170.2000113.2M341 R343 H349M341-L345 HydrophobicContact CG-CD1 4.29Å; M341-L345 WeakPolarHBondContact O-CB 3.43Å; M341-L345 WeakPolarHBondContact O-CG 3.5Å; M341-L345 PolarHBondContact O-N 2.99Å; R343-L345 PolarHBondContact O-N 3.37Å; L345-H349 WeakPolarHBondContact O-CB 3.46Å; L345-H349 PolarHBondContact O-N 3.08Å
346Q94.9Very high92.8Very high133 Ų133106.1 Ų106.162%0.62151%0.51SS*.Hα-helixtrans-69.3-43174.1-71.81664.600111.4S342 R343 H349 L350S342-Q346 VanDerWaalsContact O-CG 3.27Å; S342-Q346 WeakPolarHBondContact O-CG 3.15Å; S342-Q346 PolarHBondContact O-N 3.28Å; S342-Q346 VanDerWaalsContact O-N 3.16Å; R343-Q346 CarbonylContact O-C 3.47Å; R343-Q346 WeakPolarHBondContact O-CA 3.3Å; R343-Q346 WeakPolarHBondContact O-CB 3.36Å; R343-Q346 PolarHBondContact O-N 3.38Å; Q346-H349 WeakPolarHBondContact O-CB 3.35Å; Q346-H349 PolarHBondContact O-N 2.89Å; Q346-L350 PolarHBondContact O-N 3.19Å
347D94.9Very high93.1Very high94 Ų94107.3 Ų107.350%0.50351%0.513SS..Hα-helixtrans-62.4-45.1176.6-62.4-37000111R343 V344 H349 L350 I351R343-D347 PolarHBondContact O-N 2.83Å; V344-D347 PolarHBondContact O-N 2.86Å; D347-H349 VanDerWaalsContact C-N 3.34Å; D347-H349 PolarHBondContact O-N 3.45Å; D347-L350 PolarHBondContact O-N 3.01Å; D347-I351 VanDerWaalsContact O-CG1 3.3Å; D347-I351 WeakPolarHBondContact O-CG1 3.33Å; D347-I351 PolarHBondContact O-N 3.35Å
348L95.5Very high93.2Very high97 Ų97106.2 Ų106.251%0.50851%0.508SS..Hα-helixtrans-62.9-37173.8-76.3170.7000112.8V344 L350 I351 R352V344-L348 HydrophobicContact CG1-CD1 4.03Å; V344-L348 HydrophobicContact CG1-CG 4.47Å; V344-L348 WeakPolarHBondContact O-CB 3.34Å; V344-L348 VanDerWaalsContact O-CG 3.28Å; V344-L348 WeakPolarHBondContact O-CG 3.39Å; V344-L348 PolarHBondContact O-N 3.42Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L348-I351 PolarHBondContact O-N 2.71Å; L348-R352 WeakPolarHBondContact O-CB 3.5Å; L348-R352 PolarHBondContact O-N 2.91Å
349H94.5Very high93.5Very high125 Ų125103 Ų10358%0.57950%0.496SS*.Hα-helixtrans-65.9-39.7175.2-155.9116.9000111.3L345 Q346 D347 R352 Q353L345-H349 WeakPolarHBondContact O-CB 3.46Å; L345-H349 PolarHBondContact O-N 3.08Å; Q346-H349 WeakPolarHBondContact O-CB 3.35Å; Q346-H349 PolarHBondContact O-N 2.89Å; D347-H349 VanDerWaalsContact C-N 3.34Å; D347-H349 PolarHBondContact O-N 3.45Å; H349-R352 PolarHBondContact O-N 3.16Å; H349-Q353 WeakPolarHBondContact O-CB 3.39Å; H349-Q353 PolarHBondContact O-N 3.41Å
350L95.8Very high93.7Very high121 Ų121102.1 Ų102.163%0.63449%0.493SS*.Hα-helixtrans-67.1-41.4176.1-169.1151.7000111.4Q346 D347 L348 Q353 K354Q346-L350 PolarHBondContact O-N 3.19Å; D347-L350 PolarHBondContact O-N 3.01Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L350-Q353 PolarHBondContact O-N 2.92Å; L350-K354 PolarHBondContact O-N 2.91Å
351I94.9Very high93.8Very high90 Ų9098.4 Ų98.446%0.46248%0.481SS..Hα-helixtrans-61.9-46.8173.4-69.6163000110.9D347 L348 Q353 K354 L355D347-I351 VanDerWaalsContact O-CG1 3.3Å; D347-I351 WeakPolarHBondContact O-CG1 3.33Å; D347-I351 PolarHBondContact O-N 3.35Å; L348-I351 PolarHBondContact O-N 2.71Å; I351-Q353 VanDerWaalsContact C-N 3.29Å; I351-Q353 PolarHBondContact O-N 3.1Å; I351-K354 PolarHBondContact O-N 2.98Å; I351-L355 HydrophobicContact CG2-CD1 3.89Å; I351-L355 PolarHBondContact O-N 2.86Å
352R94.2Very high94Very high174 Ų17499.7 Ų99.766%0.65749%0.486SS*.Hα-helixtrans-57.8-42.8173.8-178.1-177.4178-171.30.4111.2L348 H349 S356L348-R352 WeakPolarHBondContact O-CB 3.5Å; L348-R352 PolarHBondContact O-N 2.91Å; H349-R352 PolarHBondContact O-N 3.16Å; R352-S356 WeakPolarHBondContact O-CB 3.41Å; R352-S356 PolarHBondContact O-N 3.39Å; R352-S356 PolarHBondContact O-OG 2.88Å
353Q93.6Very high94.3Very high95 Ų95102 Ų10244%0.44450%0.498SS..Hα-helixtrans-64.8-39.6177.5179.2166.7-27.600112.1H349 L350 I351 S356 K357H349-Q353 WeakPolarHBondContact O-CB 3.39Å; H349-Q353 PolarHBondContact O-N 3.41Å; L350-Q353 PolarHBondContact O-N 2.92Å; I351-Q353 VanDerWaalsContact C-N 3.29Å; I351-Q353 PolarHBondContact O-N 3.1Å; Q353-S356 PolarHBondContact O-OG 3.12Å; Q353-K357 HydrophobicContact CG-CD 3.77Å; Q353-K357 HydrophobicContact CG-CG 4.34Å; Q353-K357 WeakPolarHBondContact O-CB 3.16Å; Q353-K357 WeakPolarHBondContact O-CG 3.18Å; Q353-K357 PolarHBondContact O-N 2.91Å
354K96.1Very high94.3Very high84 Ų84102.3 Ų102.337%0.36550%0.499SS..Hα-helixtrans-63.9-52.5176.8-164.7-176.4-173.6-57.20111.5L350 I351 S356 K357 E358 E359L350-K354 PolarHBondContact O-N 2.91Å; I351-K354 PolarHBondContact O-N 2.98Å; K354-S356 VanDerWaalsContact C-N 3.33Å; K354-S356 PolarHBondContact O-N 3.32Å; K354-K357 PolarHBondContact O-N 3.37Å; K354-E358 VanDerWaalsContact CE-OE2 3.29Å; K354-E358 WeakPolarHBondContact CE-OE2 3.21Å; K354-E358 VanDerWaalsContact CG-OE2 3.23Å; K354-E358 WeakPolarHBondContact CG-OE2 3.13Å; K354-E358 IonicContact NZ-OE2 3.21Å; K354-E358 PolarHBondContact NZ-OE2 3.29Å; K354-E358 VanDerWaalsContact NZ-OE2 3.14Å; K354-E358 WeakPolarHBondContact O-CB 3.37Å; K354-E358 PolarHBondContact O-N 2.93Å; K354-E359 WeakPolarHBondContact CD-OE1 3.45Å; K354-E359 IonicContact NZ-OE1 3.1Å; K354-E359 PolarHBondContact NZ-OE1 3.33Å; K354-E359 PolarHBondContact O-N 3.19Å
355L94.4Very high94.3Very high73 Ų73101.5 Ų101.538%0.38250%0.497SS..Iπ-helixtrans-54.6-47.1177.1-82.4158.8000112I351 E359 I360I351-L355 HydrophobicContact CG2-CD1 3.89Å; I351-L355 PolarHBondContact O-N 2.86Å; L355-E359 WeakPolarHBondContact CD2-OE2 3.44Å; L355-I360 VanDerWaalsContact O-CB 3.29Å; L355-I360 WeakPolarHBondContact O-CB 3.24Å; L355-I360 VanDerWaalsContact O-CG1 3.26Å; L355-I360 WeakPolarHBondContact O-CG1 3.19Å; L355-I360 PolarHBondContact O-N 2.76Å
356S92.8Very high94.4Very high64 Ų6498.5 Ų98.545%0.44849%0.487SS..Iπ-helixtrans-77.4-24.6-175.354.60000115.4R352 Q353 K354R352-S356 WeakPolarHBondContact O-CB 3.41Å; R352-S356 PolarHBondContact O-N 3.39Å; R352-S356 PolarHBondContact O-OG 2.88Å; Q353-S356 PolarHBondContact O-OG 3.12Å; K354-S356 VanDerWaalsContact C-N 3.33Å; K354-S356 PolarHBondContact O-N 3.32Å
357K91.2Very high94.5Very high136 Ų13696.2 Ų96.259%0.59148%0.479SS*.Iπ-helixtrans-109.5-21.2-175.8-62.2-173.3-174.3173.40115.2Q353 K354Q353-K357 HydrophobicContact CG-CD 3.77Å; Q353-K357 HydrophobicContact CG-CG 4.34Å; Q353-K357 WeakPolarHBondContact O-CB 3.16Å; Q353-K357 WeakPolarHBondContact O-CG 3.18Å; Q353-K357 PolarHBondContact O-N 2.91Å; K354-K357 PolarHBondContact O-N 3.37Å
358E90.1Very high94.5Very high92 Ų9295.6 Ų95.643%0.4348%0.478SS..Iπ-helixtrans-115.2-68.7-179.2-61.1172.6-172.600109.4K354 P361 E362K354-E358 VanDerWaalsContact CE-OE2 3.29Å; K354-E358 WeakPolarHBondContact CE-OE2 3.21Å; K354-E358 VanDerWaalsContact CG-OE2 3.23Å; K354-E358 WeakPolarHBondContact CG-OE2 3.13Å; K354-E358 IonicContact NZ-OE2 3.21Å; K354-E358 PolarHBondContact NZ-OE2 3.29Å; K354-E358 VanDerWaalsContact NZ-OE2 3.14Å; K354-E358 WeakPolarHBondContact O-CB 3.37Å; K354-E358 PolarHBondContact O-N 2.93Å; E358-P361 WeakPolarHBondContact O-CD 3.35Å; E358-E362 WeakPolarHBondContact O-CB 3.11Å; E358-E362 VanDerWaalsContact O-CG 3.23Å; E358-E362 WeakPolarHBondContact O-CG 3.49Å; E358-E362 PolarHBondContact O-N 3.39Å
359E94.3Very high94.6Very high71 Ų7197.2 Ų97.233%0.33248%0.483SS..Iπ-helixtrans-70.2-43.2-164.1-59.1174.6-171.600113.7K354 L355 E362 V363K354-E359 WeakPolarHBondContact CD-OE1 3.45Å; K354-E359 IonicContact NZ-OE1 3.1Å; K354-E359 PolarHBondContact NZ-OE1 3.33Å; K354-E359 PolarHBondContact O-N 3.19Å; L355-E359 WeakPolarHBondContact CD2-OE2 3.44Å; E359-E362 PolarHBondContact O-N 3.19Å; E359-V363 WeakPolarHBondContact O-CB 3.37Å; E359-V363 VanDerWaalsContact O-CG2 3.31Å; E359-V363 WeakPolarHBondContact O-CG2 3.49Å; E359-V363 PolarHBondContact O-N 2.96Å
360I93.9Very high94.7Very high84 Ų8496 Ų9643%0.43148%0.48SS..Hα-helixtrans-67.8-45.1177.2-68.5168.3000111.5L355 R364L355-I360 VanDerWaalsContact O-CB 3.29Å; L355-I360 WeakPolarHBondContact O-CB 3.24Å; L355-I360 VanDerWaalsContact O-CG1 3.26Å; L355-I360 WeakPolarHBondContact O-CG1 3.19Å; L355-I360 PolarHBondContact O-N 2.76Å; I360-R364 WeakPolarHBondContact O-CB 3.26Å; I360-R364 VanDerWaalsContact O-CG 3.3Å; I360-R364 WeakPolarHBondContact O-CG 3.34Å; I360-R364 PolarHBondContact O-N 3.37Å
361P94.9Very high94.7Very high58 Ų5895.4 Ų95.438%0.37748%0.475SS..Hα-helixtrans-56.9-46.8169.6-30.138000114.1E358 V363 R364 S365E358-P361 WeakPolarHBondContact O-CD 3.35Å; P361-V363 PolarHBondContact O-N 3.44Å; P361-R364 PolarHBondContact O-N 2.92Å; P361-S365 PolarHBondContact O-N 3.17Å; P361-S365 PolarHBondContact O-OG 2.88Å; P361-S365 VanDerWaalsContact O-OG 3.07Å
362E94.5Very high94.7Very high118 Ų11893.9 Ų93.955%0.55148%0.475SS*.Hα-helixtrans-59.3-47.8179.5-77.9169.8-168.800112E358 E359 R364 S365 A366E358-E362 WeakPolarHBondContact O-CB 3.11Å; E358-E362 VanDerWaalsContact O-CG 3.23Å; E358-E362 WeakPolarHBondContact O-CG 3.49Å; E358-E362 PolarHBondContact O-N 3.39Å; E359-E362 PolarHBondContact O-N 3.19Å; E362-R364 VanDerWaalsContact C-N 3.34Å; E362-R364 PolarHBondContact O-N 2.85Å; E362-S365 WeakPolarHBondContact CA-OG 3.48Å; E362-S365 PolarHBondContact O-N 3.38Å; E362-S365 PolarHBondContact O-OG 3.19Å; E362-A366 PolarHBondContact O-N 3.24Å
363V96.1Very high94.8Very high88 Ų8889.8 Ų89.853%0.53346%0.464SS..Hα-helixtrans-62.9-39.4175.7170.40000111.5E359 P361 A366 I367E359-V363 WeakPolarHBondContact O-CB 3.37Å; E359-V363 VanDerWaalsContact O-CG2 3.31Å; E359-V363 WeakPolarHBondContact O-CG2 3.49Å; E359-V363 PolarHBondContact O-N 2.96Å; P361-V363 PolarHBondContact O-N 3.44Å; V363-A366 PolarHBondContact O-N 2.88Å; V363-I367 HydrophobicContact CG1-CD1 3.86Å; V363-I367 VanDerWaalsContact O-CG1 3.28Å; V363-I367 WeakPolarHBondContact O-CG1 3.39Å; V363-I367 PolarHBondContact O-N 3.23Å
364R95.9Very high94.7Very high176 Ų17692 Ų9266%0.66447%0.468SS*.Hα-helixtrans-63.7-43.9175-77.1176.7175.8-162.5-1.5112I360 P361 E362 I367 T368I360-R364 WeakPolarHBondContact O-CB 3.26Å; I360-R364 VanDerWaalsContact O-CG 3.3Å; I360-R364 WeakPolarHBondContact O-CG 3.34Å; I360-R364 PolarHBondContact O-N 3.37Å; P361-R364 PolarHBondContact O-N 2.92Å; E362-R364 VanDerWaalsContact C-N 3.34Å; E362-R364 PolarHBondContact O-N 2.85Å; R364-I367 PolarHBondContact O-N 3.46Å; R364-T368 PolarHBondContact O-N 2.84Å; R364-T368 PolarHBondContact O-OG1 3.44Å
365S94.6Very high94.6Very high53 Ų5393.1 Ų93.137%0.37148%0.478SS..Hα-helixtrans-61.1-45.7174.9380000112P361 E362 I367 T368 E369P361-S365 PolarHBondContact O-N 3.17Å; P361-S365 PolarHBondContact O-OG 2.88Å; P361-S365 VanDerWaalsContact O-OG 3.07Å; E362-S365 WeakPolarHBondContact CA-OG 3.48Å; E362-S365 PolarHBondContact O-N 3.38Å; E362-S365 PolarHBondContact O-OG 3.19Å; S365-I367 VanDerWaalsContact C-N 3.31Å; S365-I367 PolarHBondContact O-N 3.43Å; S365-T368 WeakPolarHBondContact CA-OG1 3.44Å; S365-T368 PolarHBondContact O-N 3.04Å; S365-T368 VanDerWaalsContact O-N 3.1Å; S365-T368 PolarHBondContact O-OG1 2.89Å; S365-E369 WeakPolarHBondContact O-CG 3.41Å; S365-E369 PolarHBondContact O-N 3.06Å
366A96.1Very high94.5Very high43 Ų4395.9 Ų95.936%0.35549%0.489SS..Hα-helixtrans-62.1-36.6178.100000112.6E362 V363 L370E362-A366 PolarHBondContact O-N 3.24Å; V363-A366 PolarHBondContact O-N 2.88Å; A366-L370 WeakPolarHBondContact O-CB 3.2Å; A366-L370 VanDerWaalsContact O-CG 3.29Å; A366-L370 WeakPolarHBondContact O-CG 3.21Å; A366-L370 PolarHBondContact O-N 2.98Å
367I96Very high94.3Very high85 Ų8598.9 Ų98.944%0.43649%0.49SS..Hα-helixtrans-64.5-45.4172.5-70.3165.1000110.7V363 R364 S365 E369 L370 Q371V363-I367 HydrophobicContact CG1-CD1 3.86Å; V363-I367 VanDerWaalsContact O-CG1 3.28Å; V363-I367 WeakPolarHBondContact O-CG1 3.39Å; V363-I367 PolarHBondContact O-N 3.23Å; R364-I367 PolarHBondContact O-N 3.46Å; S365-I367 VanDerWaalsContact C-N 3.31Å; S365-I367 PolarHBondContact O-N 3.43Å; I367-E369 PolarHBondContact O-N 2.85Å; I367-L370 PolarHBondContact O-N 3.45Å; I367-Q371 HydrophobicContact CG2-CG 4.45Å; I367-Q371 WeakPolarHBondContact O-CB 3.4Å; I367-Q371 VanDerWaalsContact O-CG 3.3Å; I367-Q371 WeakPolarHBondContact O-CG 3.5Å; I367-Q371 PolarHBondContact O-N 3.39Å
368T96.1Very high93.9Very high81 Ų8197.6 Ų97.650%0.49748%0.482SS..Hα-helixtrans-67.5-32.8178.452.70000113.3R364 S365 A372R364-T368 PolarHBondContact O-N 2.84Å; R364-T368 PolarHBondContact O-OG1 3.44Å; S365-T368 WeakPolarHBondContact CA-OG1 3.44Å; S365-T368 PolarHBondContact O-N 3.04Å; S365-T368 VanDerWaalsContact O-N 3.1Å; S365-T368 PolarHBondContact O-OG1 2.89Å; T368-A372 WeakPolarHBondContact O-CB 3.29Å; T368-A372 PolarHBondContact O-N 2.81Å
369E96.6Very high93.7Very high130 Ų13098.2 Ų98.261%0.60749%0.486SS*.Hα-helixtrans-67.5-45172.8-73.3177.4169.600111.1S365 I367 Q371 A372 E373S365-E369 WeakPolarHBondContact O-CG 3.41Å; S365-E369 PolarHBondContact O-N 3.06Å; I367-E369 PolarHBondContact O-N 2.85Å; E369-Q371 VanDerWaalsContact C-N 3.33Å; E369-Q371 PolarHBondContact O-N 3.36Å; E369-A372 PolarHBondContact O-N 3.25Å; E369-E373 WeakPolarHBondContact O-CB 3.35Å; E369-E373 PolarHBondContact O-N 2.96Å
370L96.5Very high93.3Very high100 Ų10099.8 Ų99.852%0.52449%0.493SS..Hα-helixtrans-63.7-36.4174.7-75168.8000112.7A366 I367 W374A366-L370 WeakPolarHBondContact O-CB 3.2Å; A366-L370 VanDerWaalsContact O-CG 3.29Å; A366-L370 WeakPolarHBondContact O-CG 3.21Å; A366-L370 PolarHBondContact O-N 2.98Å; I367-L370 PolarHBondContact O-N 3.45Å; L370-W374 WeakPolarHBondContact O-CB 3.44Å; L370-W374 VanDerWaalsContact O-CD1 3.27Å; L370-W374 PolarHBondContact O-N 3.03Å
371Q95.9Very high92.6Very high109 Ų10998.2 Ų98.251%0.50949%0.487SS..Hα-helixtrans-64.6-48.8172.7-76172.2-31.700111I367 E369 E373 W374 D375I367-Q371 HydrophobicContact CG2-CG 4.45Å; I367-Q371 WeakPolarHBondContact O-CB 3.4Å; I367-Q371 VanDerWaalsContact O-CG 3.3Å; I367-Q371 WeakPolarHBondContact O-CG 3.5Å; I367-Q371 PolarHBondContact O-N 3.39Å; E369-Q371 VanDerWaalsContact C-N 3.33Å; E369-Q371 PolarHBondContact O-N 3.36Å; Q371-E373 VanDerWaalsContact C-N 3.32Å; Q371-E373 PolarHBondContact O-N 3.22Å; Q371-W374 PolarHBondContact O-N 3.3Å; Q371-W374 VanDerWaalsContact O-N 3.1Å; Q371-D375 PolarHBondContact O-N 2.86Å
372A95Very high91.7Very high57 Ų5798.6 Ų98.647%0.47149%0.486SS..Hα-helixtrans-62.2-37.1176.800000112.7T368 E369 Q376T368-A372 WeakPolarHBondContact O-CB 3.29Å; T368-A372 PolarHBondContact O-N 2.81Å; E369-A372 PolarHBondContact O-N 3.25Å; A372-Q376 VanDerWaalsContact O-CB 3.29Å; A372-Q376 WeakPolarHBondContact O-CB 3.15Å; A372-Q376 PolarHBondContact O-N 3.41Å
373E95.8Very high90.8Very high89 Ų89102.3 Ų102.342%0.41650%0.495SS..Hα-helixtrans-62.3-44.5170.6-86.3-157-13700112.1E369 Q371 Q376 R377E369-E373 WeakPolarHBondContact O-CB 3.35Å; E369-E373 PolarHBondContact O-N 2.96Å; Q371-E373 VanDerWaalsContact C-N 3.32Å; Q371-E373 PolarHBondContact O-N 3.22Å; E373-Q376 PolarHBondContact O-N 2.96Å; E373-R377 WeakPolarHBondContact O-CB 3.12Å; E373-R377 WeakPolarHBondContact O-CD 3.45Å; E373-R377 WeakPolarHBondContact O-CG 3.34Å; E373-R377 PolarHBondContact O-N 3.44Å; E373-R377 IonicContact OE2-CZ 2.62Å; E373-R377 IonicContact OE2-NE 3.47Å; E373-R377 IonicContact OE2-NH2 3.74Å; E373-R377 PolarHBondContact OE2-NH2 3.42Å
374W92.6Very high89.6Confident142 Ų142104.7 Ų104.754%0.53850%0.5SS..Hα-helixtrans-64.6-44.3176.9-92110.7000112.3L370 Q371 Q376 R377 W378L370-W374 WeakPolarHBondContact O-CB 3.44Å; L370-W374 VanDerWaalsContact O-CD1 3.27Å; L370-W374 PolarHBondContact O-N 3.03Å; Q371-W374 PolarHBondContact O-N 3.3Å; Q371-W374 VanDerWaalsContact O-N 3.1Å; W374-Q376 VanDerWaalsContact C-N 3.32Å; W374-Q376 PolarHBondContact O-N 2.92Å; W374-R377 PolarHBondContact O-N 3.35Å; W374-W378 AromaticContact CE3-NE1 3.77Å; W374-W378 WeakPolarHBondContact O-CB 3.49Å; W374-W378 VanDerWaalsContact O-CD1 3.23Å; W374-W378 PolarHBondContact O-N 3.08Å
375D92.6Very high88.5Confident106 Ų106100.3 Ų100.357%0.56749%0.486SS*.Hα-helixtrans-62.2-39.3175.2-72-23000111.4Q371 M379Q371-D375 PolarHBondContact O-N 2.86Å; D375-M379 WeakPolarHBondContact O-CB 3.45Å; D375-M379 PolarHBondContact O-N 3.24Å
376Q92.6Very high87.6Confident132 Ų132101.7 Ų101.762%0.61749%0.494SS*.Hα-helixtrans-66.1-43.2174-177.9176.2-17.500111.9A372 E373 W374 M379 Q380A372-Q376 VanDerWaalsContact O-CB 3.29Å; A372-Q376 WeakPolarHBondContact O-CB 3.15Å; A372-Q376 PolarHBondContact O-N 3.41Å; E373-Q376 PolarHBondContact O-N 2.96Å; W374-Q376 VanDerWaalsContact C-N 3.32Å; W374-Q376 PolarHBondContact O-N 2.92Å; Q376-M379 PolarHBondContact O-N 3.23Å; Q376-Q380 WeakPolarHBondContact O-CB 3.37Å; Q376-Q380 PolarHBondContact O-N 3.41Å
377R89.3Confident86.1Confident127 Ų127104.2 Ų104.248%0.47950%0.501SS..Hα-helixtrans-63-43.6176.8-70.9162.7-170.6-147.57.9111.4E373 W374 T381E373-R377 WeakPolarHBondContact O-CB 3.12Å; E373-R377 WeakPolarHBondContact O-CD 3.45Å; E373-R377 WeakPolarHBondContact O-CG 3.34Å; E373-R377 PolarHBondContact O-N 3.44Å; E373-R377 IonicContact OE2-CZ 2.62Å; E373-R377 IonicContact OE2-NE 3.47Å; E373-R377 IonicContact OE2-NH2 3.74Å; E373-R377 PolarHBondContact OE2-NH2 3.42Å; W374-R377 PolarHBondContact O-N 3.35Å; R377-T381 WeakPolarHBondContact O-CB 3.41Å; R377-T381 PolarHBondContact O-N 2.97Å; R377-T381 PolarHBondContact O-OG1 3.49Å
378W82.6Confident84.6Confident108 Ų108105.2 Ų105.241%0.40951%0.511SS..Hα-helixtrans-62.3-50.3171.3-81.4116.8000111.5W374 Q380 T381 L382 F390W374-W378 AromaticContact CE3-NE1 3.77Å; W374-W378 WeakPolarHBondContact O-CB 3.49Å; W374-W378 VanDerWaalsContact O-CD1 3.23Å; W374-W378 PolarHBondContact O-N 3.08Å; W378-Q380 VanDerWaalsContact C-N 3.26Å; W378-Q380 PolarHBondContact O-N 3.31Å; W378-T381 PolarHBondContact O-N 3.21Å; W378-T381 VanDerWaalsContact O-N 3.13Å; W378-L382 WeakPolarHBondContact O-CB 3.2Å; W378-L382 VanDerWaalsContact O-CG 3.3Å; W378-L382 WeakPolarHBondContact O-CG 3.23Å; W378-L382 PolarHBondContact O-N 3.29Å; W378-F390 AromaticContact CH2-CE1 3.94Å; W378-F390 HydrophobicContact CH2-CE1 3.94Å; W378-F390 HydrophobicContact CH2-CZ 4.22Å; W378-F390 HydrophobicContact CZ3-CD1 4.43Å; W378-F390 AromaticContact CZ3-CE1 3.98Å; W378-F390 HydrophobicContact CZ3-CE1 3.98Å; W378-F390 HydrophobicContact CZ3-CZ 4.23Å
379M86.1Confident83Confident105 Ų105103.8 Ų103.852%0.51750%0.504SS..Hα-helixtrans-60.7-33.8-179.8-166.3-173-54.400112.6D375 Q376 R383D375-M379 WeakPolarHBondContact O-CB 3.45Å; D375-M379 PolarHBondContact O-N 3.24Å; Q376-M379 PolarHBondContact O-N 3.23Å; M379-R383 WeakPolarHBondContact O-CD 3.47Å; M379-R383 WeakPolarHBondContact O-CG 3.31Å; M379-R383 PolarHBondContact O-N 3.04Å; M379-R383 PolarHBondContact SD-NH2 2.95Å
380Q84.8Confident81.4Confident105 Ų105100.7 Ų100.749%0.49149%0.489SS..Hα-helixtrans-70.9-49.5172.2-178.5171-12.800111.4Q376 W378 L382 R383 E384Q376-Q380 WeakPolarHBondContact O-CB 3.37Å; Q376-Q380 PolarHBondContact O-N 3.41Å; W378-Q380 VanDerWaalsContact C-N 3.26Å; W378-Q380 PolarHBondContact O-N 3.31Å; Q380-L382 VanDerWaalsContact C-N 3.26Å; Q380-L382 PolarHBondContact O-N 3.43Å; Q380-R383 WeakPolarHBondContact O-CB 3.46Å; Q380-R383 PolarHBondContact O-N 2.94Å; Q380-E384 VanDerWaalsContact CG-OE1 3.29Å; Q380-E384 WeakPolarHBondContact CG-OE1 3.37Å; Q380-E384 PolarHBondContact NE2-OE1 3.36Å; Q380-E384 PolarHBondContact O-N 2.92Å; Q380-E384 VanDerWaalsContact O-N 3.16Å
381T79.9Confident79.7Confident50 Ų5098.1 Ų98.131%0.30748%0.475SS..Hα-helixtrans-56.6-41.5180-55.50000111.3R377 W378 R383 E384 K385 F390R377-T381 WeakPolarHBondContact O-CB 3.41Å; R377-T381 PolarHBondContact O-N 2.97Å; R377-T381 PolarHBondContact O-OG1 3.49Å; W378-T381 PolarHBondContact O-N 3.21Å; W378-T381 VanDerWaalsContact O-N 3.13Å; T381-R383 VanDerWaalsContact C-N 3.32Å; T381-R383 PolarHBondContact O-N 3.21Å; T381-E384 PolarHBondContact O-N 3.1Å; T381-K385 PolarHBondContact O-N 3.34Å; T381-F390 HydrophobicContact CG2-CD2 4.2Å; T381-F390 HydrophobicContact CG2-CE2 4.25Å
382L75.6Confident78.1Confident66 Ų6698.9 Ų98.935%0.34648%0.483SS..Hα-helixtrans-77-11.1179.1-60.8-174.8000114.8W378 Q380 K385 L387W378-L382 WeakPolarHBondContact O-CB 3.2Å; W378-L382 VanDerWaalsContact O-CG 3.3Å; W378-L382 WeakPolarHBondContact O-CG 3.23Å; W378-L382 PolarHBondContact O-N 3.29Å; Q380-L382 VanDerWaalsContact C-N 3.26Å; Q380-L382 PolarHBondContact O-N 3.43Å; L382-K385 CarbonylContact C-O 3.58Å; L382-K385 WeakPolarHBondContact CA-O 3.2Å; L382-L387 HydrophobicContact CD1-CD1 4.05Å; L382-L387 HydrophobicContact CD1-CG 4.15Å; L382-L387 HydrophobicContact CD2-CB 4.07Å; L382-L387 HydrophobicContact CD2-CG 3.73Å
383R75.6Confident76.4Confident197 Ų197101.7 Ų101.774%0.74349%0.486SS*.Hα-helixtrans-84.5-28166-73.1167.2-173.3-161.25.5112.1M379 Q380 T381M379-R383 WeakPolarHBondContact O-CD 3.47Å; M379-R383 WeakPolarHBondContact O-CG 3.31Å; M379-R383 PolarHBondContact O-N 3.04Å; M379-R383 PolarHBondContact SD-NH2 2.95Å; Q380-R383 WeakPolarHBondContact O-CB 3.46Å; Q380-R383 PolarHBondContact O-N 2.94Å; T381-R383 VanDerWaalsContact C-N 3.32Å; T381-R383 PolarHBondContact O-N 3.21Å
384E72Confident74.4Confident137 Ų137101 Ų10164%0.6449%0.485SS*.Hα-helixtrans-89.3-33.6-178.5-67.3178.8-153.800112.4Q380 T381Q380-E384 VanDerWaalsContact CG-OE1 3.29Å; Q380-E384 WeakPolarHBondContact CG-OE1 3.37Å; Q380-E384 PolarHBondContact NE2-OE1 3.36Å; Q380-E384 PolarHBondContact O-N 2.92Å; Q380-E384 VanDerWaalsContact O-N 3.16Å; T381-E384 PolarHBondContact O-N 3.1Å
385K72.3Confident72.7Confident84 Ų84100.3 Ų100.337%0.36550%0.499SS..SBendtrans-134.7137.7171-61.3-168.6-173.1-169.70111.3T381 L382 E393T381-K385 PolarHBondContact O-N 3.34Å; L382-K385 CarbonylContact C-O 3.58Å; L382-K385 WeakPolarHBondContact CA-O 3.2Å; K385-E393 IonicContact NZ-OE1 2.77Å; K385-E393 PolarHBondContact NZ-OE1 3.1Å; K385-E393 IonicContact NZ-OE2 2.68Å; K385-E393 PolarHBondContact NZ-OE2 3.42Å
386P74.9Confident70.9Confident83 Ų8399.5 Ų99.554%0.53951%0.507SS..  trans-56.6145.4168.5-23.533.7000111.8V388 S389 F390P386-V388 PolarHBondContact O-N 3.48Å; P386-S389 WeakPolarHBondContact O-CA 3.34Å; P386-S389 WeakPolarHBondContact O-CB 3.48Å; P386-S389 PolarHBondContact O-N 3.28Å; P386-F390 PolarHBondContact O-N 2.94Å; P386-F390 VanDerWaalsContact O-N 3.11Å
387L65.2Low69Low96 Ų9697.3 Ų97.350%0.50350%0.499SS..Hα-helixtrans-51.9-41.1178.6-138168.6000111.9L382 S389 F390 L391L382-L387 HydrophobicContact CD1-CD1 4.05Å; L382-L387 HydrophobicContact CD1-CG 4.15Å; L382-L387 HydrophobicContact CD2-CB 4.07Å; L382-L387 HydrophobicContact CD2-CG 3.73Å; L387-S389 VanDerWaalsContact C-N 3.31Å; L387-S389 PolarHBondContact O-N 3.49Å; L387-F390 PolarHBondContact O-N 3.46Å; L387-L391 HydrophobicContact CD2-CD1 3.57Å; L387-L391 HydrophobicContact CD2-CG 4.03Å; L387-L391 WeakPolarHBondContact O-CG 3.32Å; L387-L391 PolarHBondContact O-N 2.68Å; L387-L391 VanDerWaalsContact O-N 3.08Å
388V63.9Low67.1Low105 Ų10593.2 Ų93.264%0.63650%0.497SS*.Hα-helixtrans-65.8-29.3176.2-175.10000112.8P386 N392P386-V388 PolarHBondContact O-N 3.48Å; V388-N392 WeakPolarHBondContact O-CB 3.4Å; V388-N392 PolarHBondContact O-ND2 3.14Å
389S63.8Low65.7Low51 Ų5196.2 Ų96.236%0.35751%0.513SS..Hα-helixtrans-76.1-42.6175.7-56.50000111.2P386 L387 N392 E393P386-S389 WeakPolarHBondContact O-CA 3.34Å; P386-S389 WeakPolarHBondContact O-CB 3.48Å; P386-S389 PolarHBondContact O-N 3.28Å; L387-S389 VanDerWaalsContact C-N 3.31Å; L387-S389 PolarHBondContact O-N 3.49Å; S389-N392 PolarHBondContact O-N 3.27Å; S389-E393 WeakPolarHBondContact O-CG 3.19Å; S389-E393 PolarHBondContact O-N 2.92Å
390F62.5Low64.2Low66 Ų6698.8 Ų98.829%0.28953%0.528SS..Hα-helixtrans-60.4-46.3177-177-93.5000111.9W378 T381 P386 L387 N392 E393W378-F390 AromaticContact CH2-CE1 3.94Å; W378-F390 HydrophobicContact CH2-CE1 3.94Å; W378-F390 HydrophobicContact CH2-CZ 4.22Å; W378-F390 HydrophobicContact CZ3-CD1 4.43Å; W378-F390 AromaticContact CZ3-CE1 3.98Å; W378-F390 HydrophobicContact CZ3-CE1 3.98Å; W378-F390 HydrophobicContact CZ3-CZ 4.23Å; T381-F390 HydrophobicContact CG2-CD2 4.2Å; T381-F390 HydrophobicContact CG2-CE2 4.25Å; P386-F390 PolarHBondContact O-N 2.94Å; P386-F390 VanDerWaalsContact O-N 3.11Å; L387-F390 PolarHBondContact O-N 3.46Å; F390-N392 PolarHBondContact O-N 3.48Å; F390-E393 PolarHBondContact O-N 2.88Å
391L61.5Low62.5Low46 Ų4698.9 Ų98.924%0.24154%0.54CS..THydrogen-bonded Turntrans-69.2-12.9178.4-67.2173000114.7L387 F399L387-L391 HydrophobicContact CD2-CD1 3.57Å; L387-L391 HydrophobicContact CD2-CG 4.03Å; L387-L391 WeakPolarHBondContact O-CG 3.32Å; L387-L391 PolarHBondContact O-N 2.68Å; L387-L391 VanDerWaalsContact O-N 3.08Å; L391-F399 HydrophobicContact CD1-CD2 4.08Å; L391-F399 HydrophobicContact CD1-CE2 4.35Å; L391-F399 HydrophobicContact CD2-CD2 4Å; L391-F399 HydrophobicContact CD2-CE2 3.84Å
392N62Low61Low125 Ų125102.6 Ų102.667%0.66857%0.565SS**THydrogen-bonded Turntrans-100.6-5.3175.5-78.7-47.6000113.2V388 S389 F390V388-N392 WeakPolarHBondContact O-CB 3.4Å; V388-N392 PolarHBondContact O-ND2 3.14Å; S389-N392 PolarHBondContact O-N 3.27Å; F390-N392 PolarHBondContact O-N 3.48Å
393E59.6Low59.5Low116 Ų116106.9 Ų106.954%0.54259%0.585SS.*THydrogen-bonded Turntrans-86.5-22.7176.6-78.7177.3172.400113K385 S389 F390K385-E393 IonicContact NZ-OE1 2.77Å; K385-E393 PolarHBondContact NZ-OE1 3.1Å; K385-E393 IonicContact NZ-OE2 2.68Å; K385-E393 PolarHBondContact NZ-OE2 3.42Å; S389-E393 WeakPolarHBondContact O-CG 3.19Å; S389-E393 PolarHBondContact O-N 2.92Å; F390-E393 PolarHBondContact O-N 2.88Å
394D52.7Low58.4Low73 Ų73101.3 Ų101.339%0.3958%0.581SS.*  trans-115108.8174.3-170.1-20.1000110.8A396 L397 G398D394-A396 PolarHBondContact O-N 2.72Å; D394-A396 VanDerWaalsContact O-N 3.14Å; D394-A396 WeakPolarHBondContact OD1-CB 2.99Å; D394-A396 PolarHBondContact OD1-N 3.42Å; D394-L397 HydrophobicContact CB-CB 4.44Å; D394-L397 HydrophobicContact CB-CD1 4.46Å; D394-L397 PolarHBondContact O-N 2.99Å; D394-G398 PolarHBondContact O-N 3.19Å
395P56.4Low57.3Low128 Ų128100.5 Ų100.583%0.83159%0.588SS**THydrogen-bonded Turntrans-67.5-10.8-177.929.1-35.3000113.9
396A55.5Low56.3Low89 Ų89102.5 Ų102.574%0.73660%0.602SS**THydrogen-bonded Turntrans-80.3-19171.400000113.2D394D394-A396 PolarHBondContact O-N 2.72Å; D394-A396 VanDerWaalsContact O-N 3.14Å; D394-A396 WeakPolarHBondContact OD1-CB 2.99Å; D394-A396 PolarHBondContact OD1-N 3.42Å
397L53.3Low55.1Low87 Ų87103 Ų10346%0.45561%0.608SS.*SBendtrans-107.610.2179.1-63.1178.1000113.2D394 F399D394-L397 HydrophobicContact CB-CB 4.44Å; D394-L397 HydrophobicContact CB-CD1 4.46Å; D394-L397 PolarHBondContact O-N 2.99Å; L397-F399 VanDerWaalsContact C-N 3.35Å; L397-F399 WeakPolarHBondContact O-CD2 3.29Å; L397-F399 PolarHBondContact O-N 3.41Å
398G49.7Very low54.4Low41 Ų41107.8 Ų107.842%0.42363%0.625SS.*  trans-66.887.5174.600000111.7D394 L400D394-G398 PolarHBondContact O-N 3.19Å; G398-L400 PolarHBondContact O-N 2.87Å
399F52.1Low53.8Low170 Ų170110.5 Ų110.575%0.74663%0.63SS**  trans-54.5111.5170.8-72.5-84000109.8L391 L397 S401L391-F399 HydrophobicContact CD1-CD2 4.08Å; L391-F399 HydrophobicContact CD1-CE2 4.35Å; L391-F399 HydrophobicContact CD2-CD2 4Å; L391-F399 HydrophobicContact CD2-CE2 3.84Å; L397-F399 VanDerWaalsContact C-N 3.35Å; L397-F399 WeakPolarHBondContact O-CD2 3.29Å; L397-F399 PolarHBondContact O-N 3.41Å; F399-S401 PolarHBondContact O-N 3.47Å
400L53.9Low53Low160 Ų160114 Ų11484%0.83865%0.652SS**PPolyproline II helixtrans-54.5136.8168.1-65.1174.7000108.7G398G398-L400 PolarHBondContact O-N 2.87Å
401S51.1Low52.3Low107 Ų107113.6 Ų113.675%0.74866%0.66SS**PPolyproline II helixtrans-46.2131.2171.5-61.60000109.4F399 M403F399-S401 PolarHBondContact O-N 3.47Å; S401-M403 PolarHBondContact O-N 3.03Å; S401-M403 VanDerWaalsContact O-N 3.08Å
402P47.1Very low52.3Low128 Ų128115.8 Ų115.883%0.83168%0.678SS**PPolyproline II helixtrans-48.3122.1-176.8-29.935000110.5A404P402-A404 PolarHBondContact O-N 3.22Å
403M44.7Very low52Low156 Ų156118.2 Ų118.277%0.76869%0.685SS**PPolyproline II helixtrans-53.2128.4-179.4-79.5-17960.200108.7S401 L406S401-M403 PolarHBondContact O-N 3.03Å; S401-M403 VanDerWaalsContact O-N 3.08Å; M403-L406 HydrophobicContact CE-CD2 4.11Å
404A52.8Low51.9Low80 Ų80116.3 Ų116.366%0.66169%0.689SS**PPolyproline II helixtrans-52.7136.5173.700000108.6P402 L406P402-A404 PolarHBondContact O-N 3.22Å; A404-L406 PolarHBondContact O-N 3.23Å
405P49Very low51.8Low120 Ų120116.2 Ų116.278%0.77969%0.694SS**PPolyproline II helixtrans-55.3127.9-175.422.6-33.5000109.4S407P405-S407 PolarHBondContact O-N 3.37Å
406L50Low51.6Low126 Ų126117.9 Ų117.966%0.6669%0.685SS**  trans-60.698.7-172.2-67.2174.1000110.5M403 A404 F408M403-L406 HydrophobicContact CE-CD2 4.11Å; A404-L406 PolarHBondContact O-N 3.23Å; L406-F408 HydrophobicContact CB-CE2 4.24Å; L406-F408 VanDerWaalsContact O-CD2 3.24Å; L406-F408 WeakPolarHBondContact O-CD2 3.44Å; L406-F408 PolarHBondContact O-N 2.96Å
407S50.9Low51.7Low94 Ų94117 Ų11766%0.65767%0.673SS**  trans-72.7106.4175.254.40000109P405 E409P405-S407 PolarHBondContact O-N 3.37Å; S407-E409 PolarHBondContact O-N 3.48Å
408F50.7Low51.8Low196 Ų196120.6 Ų120.686%0.8669%0.688SS**  trans-73.431.8173.6-71.1-89.8000113.1L406L406-F408 HydrophobicContact CB-CE2 4.24Å; L406-F408 VanDerWaalsContact O-CD2 3.24Å; L406-F408 WeakPolarHBondContact O-CD2 3.44Å; L406-F408 PolarHBondContact O-N 2.96Å
409E50.9Low51.9Low162 Ų162120.7 Ų120.776%0.75768%0.682SS**SBendtrans-77.4129.5165.1-76.7-166.7126.800109.2S407 A411S407-E409 PolarHBondContact O-N 3.48Å; E409-A411 PolarHBondContact O-N 3.11Å; E409-A411 VanDerWaalsContact O-N 3.11Å
410P46Very low51.8Low125 Ų125118.5 Ų118.581%0.81268%0.676SS**  trans-62.3114.2176.7-23.334.3000111.4
411A49.5Very low51.7Low56 Ų56119.8 Ų119.846%0.46368%0.676SS.*  trans-61.2130.5173.900000110.1E409E409-A411 PolarHBondContact O-N 3.11Å; E409-A411 VanDerWaalsContact O-N 3.11Å
412P59.8Low52Low93 Ų93117.6 Ų117.660%0.60466%0.66SS**  trans-63.2147.6-17926.2-34.2000111.2A414 S415P412-A414 PolarHBondContact O-N 3.35Å; P412-S415 WeakPolarHBondContact O-CB 3.35Å; P412-S415 PolarHBondContact O-N 3.47Å
413E55.8Low52.3Low176 Ų176117.6 Ų117.682%0.82265%0.649SS**G310 helixtrans-54.8-26.8-170.7-66.1177.8112.700114.3S415 Y416E413-S415 PolarHBondContact O-N 3.03Å; E413-S415 VanDerWaalsContact O-N 3.11Å; E413-Y416 PolarHBondContact O-N 2.89Å
414A57.8Low52.5Low75 Ų75118.1 Ų118.162%0.6265%0.647SS**G310 helixtrans-59.7-16173.700000114.6P412 S417P412-A414 PolarHBondContact O-N 3.35Å; A414-S417 PolarHBondContact O-OG 2.95Å; A414-S417 VanDerWaalsContact O-OG 3.05Å
415S50.6Low52.3Low72 Ų72119.2 Ų119.250%0.50365%0.648SS.*G310 helixtrans-85.6-23.6172.2-61.40000113.3P412 E413P412-S415 WeakPolarHBondContact O-CB 3.35Å; P412-S415 PolarHBondContact O-N 3.47Å; E413-S415 PolarHBondContact O-N 3.03Å; E413-S415 VanDerWaalsContact O-N 3.11Å
416Y53Low51.6Low163 Ų163117.9 Ų117.964%0.63965%0.647SS**THydrogen-bonded Turntrans-79-31.1179.6-83.7-88.1000113E413 H418 S419E413-Y416 PolarHBondContact O-N 2.89Å; Y416-H418 PolarHBondContact O-N 2.96Å; Y416-S419 VanDerWaalsContact O-CB 3.3Å; Y416-S419 WeakPolarHBondContact O-CB 3.37Å; Y416-S419 PolarHBondContact O-N 2.96Å; Y416-S419 VanDerWaalsContact O-N 3.07Å
417S56.2Low51.3Low71 Ų71121.5 Ų121.550%0.49766%0.657SS.*THydrogen-bonded Turntrans-58.9-33.7178.154.80000113.3A414 S422A414-S417 PolarHBondContact O-OG 2.95Å; A414-S417 VanDerWaalsContact O-OG 3.05Å; S417-S422 PolarHBondContact O-OG 3.37Å
418H56.2Low50.6Low162 Ų162127 Ų12775%0.7567%0.669SS**THydrogen-bonded Turntrans-89.1-0.3178.3-68-74.5000114.3Y416Y416-H418 PolarHBondContact O-N 2.96Å
419S53Low49.6Very low43 Ų43126.1 Ų126.130%0.30167%0.673SS.*SBendtrans-74.7137.5177.8-172.60000111.7Y416 F421 S422Y416-S419 VanDerWaalsContact O-CB 3.3Å; Y416-S419 WeakPolarHBondContact O-CB 3.37Å; Y416-S419 PolarHBondContact O-N 2.96Å; Y416-S419 VanDerWaalsContact O-N 3.07Å; S419-F421 PolarHBondContact O-N 3.18Å; S419-F421 VanDerWaalsContact O-N 3.08Å; S419-S422 PolarHBondContact O-N 2.74Å; S419-S422 PolarHBondContact O-OG 3.03Å
420I49Very low48.7Very low124 Ų124121.7 Ų121.764%0.63667%0.671SS**G310 helixtrans-57.3-30.6-175.1-54172.9000111.7S422 Q423I420-S422 PolarHBondContact O-N 2.96Å; I420-Q423 WeakPolarHBondContact O-CB 3.35Å; I420-Q423 PolarHBondContact O-N 3.28Å; I420-Q423 VanDerWaalsContact O-N 3.13Å
421F50.9Low47.8Very low187 Ų187125.5 Ų125.582%0.8268%0.678SS**G310 helixtrans-66.3-16.6179.1-61.8-80.2000114.4S419 Q423S419-F421 PolarHBondContact O-N 3.18Å; S419-F421 VanDerWaalsContact O-N 3.08Å; F421-Q423 VanDerWaalsContact C-N 3.32Å
422S58.6Low46.9Very low61 Ų61132.1 Ų132.143%0.42770%0.699SS.*G310 helixtrans-75.6-21.5173.474.10000113S417 S419 I420 F424S417-S422 PolarHBondContact O-OG 3.37Å; S419-S422 PolarHBondContact O-N 2.74Å; S419-S422 PolarHBondContact O-OG 3.03Å; I420-S422 PolarHBondContact O-N 2.96Å; S422-F424 VanDerWaalsContact C-N 3.34Å; S422-F424 PolarHBondContact O-N 3.21Å
423Q52.3Low45.2Very low127 Ų127132.6 Ų132.659%0.59370%0.704SS**SBendtrans-81.7-12.4-172.8-57.9-175.39.400113.4I420 F421I420-Q423 WeakPolarHBondContact O-CB 3.35Å; I420-Q423 PolarHBondContact O-N 3.28Å; I420-Q423 VanDerWaalsContact O-N 3.13Å; F421-Q423 VanDerWaalsContact C-N 3.32Å
424F48.6Very low43.8Very low167 Ų167135.4 Ų135.473%0.73271%0.708SS**SBendtrans-131.569.2179.8-60.3-79.7000113.1S422 A426S422-F424 VanDerWaalsContact C-N 3.34Å; S422-F424 PolarHBondContact O-N 3.21Å; F424-A426 PolarHBondContact O-N 3.36Å
425P49.3Very low42.2Very low104 Ų104138.6 Ų138.668%0.67572%0.715SS**  trans-65.5117.3176.3-18.632.7000111.8K427P425-K427 PolarHBondContact O-N 3.32Å
426A35.7Very low41Very low91 Ų91142 Ų14275%0.75273%0.732SS**  trans-68.8120177.200000111.2F424 F428F424-A426 PolarHBondContact O-N 3.36Å; A426-F428 PolarHBondContact O-N 3.16Å
427K42.4Very low39.7Very low203 Ų203139 Ų13988%0.88374%0.735SS**  trans-84.3109.2178.9-66-178.9-179.5178.70110.7P425P425-K427 PolarHBondContact O-N 3.32Å
428F35.4Very low39Very low208 Ų208140.9 Ų140.991%0.91275%0.746SS**  trans-74.5144.4165.2-91.1-90.9000111.4A426A426-F428 PolarHBondContact O-N 3.16Å
429L30.7Very low37.5Very low178 Ų178141 Ų14193%0.93274%0.744SS**  trans-147.9116.7-179.3-175.490.4000107.7
430G31.4Very low36.3Very low69 Ų69145 Ų14571%0.71176%0.762SS**  cis168.9134-10.100000110
431E27.3Very low35.3Very low205 Ų205147.3 Ų147.396%0.95877%0.77SS**  trans-103.6134.6175-87.6-173.7150.900111.3
432Q30.7Very low34.8Very low196 Ų196143.7 Ų143.792%0.91677%0.766SS**  trans-102.6135.5179.2-65.4-177.6-2.500110.8
433S24.7Very low33.6Very low102 Ų102144.1 Ų144.171%0.71377%0.773SS**  trans-151.388.2170.6174.20000112.6
434W25.1Very low32.5Very low235 Ų235146.5 Ų146.589%0.8978%0.784SS**  trans65122.5150-55.3101.8000120.9
435N25.1Very low31.6Very low143 Ų143145.1 Ų145.177%0.76578%0.781SS**  trans-58159.5173.2-43.8-51.6000114.3
436T24.7Very low30.6Very low143 Ų143148 Ų14888%0.87779%0.785SS**  -157.5120.1122-71.50000112.3
437S26.3Very low30.3Very low100 Ų100148 Ų14870%0.69978%0.78SS**  trans-43.5177.6167.8-67.30000119.2
438P40.8Very low29.6Very low111 Ų111144.4 Ų144.472%0.72178%0.776SS**  cis-142-150-37.138-16.7000112.4
439K24.6Very low29.3Very low163 Ų163143.6 Ų143.671%0.70978%0.775SS**  trans88.7141.3166.9-61.7-169.1136.4-69.70116.6
440D28.8Very low29.2Very low127 Ų127141.4 Ų141.468%0.67976%0.764SS**  cis-148.9158.1-8.9-91.6-30.9000110.1
441E27.5Very low29.1Very low174 Ų174143.2 Ų143.281%0.81376%0.761SS**  trans-99.8172.2163.5-93.6-101.3158.500108.7
442P41.8Very low29Very low111 Ų111141.4 Ų141.472%0.72175%0.75SS**  cis-150.7-161.231.944.8-22.7000117.8
443A32.8Very low28.8Very low69 Ų69142.4 Ų142.457%0.5775%0.745SS**  trans80.6150152.100000118.6
444E28.4Very low28.9Very low177 Ų177148 Ų14883%0.82775%0.751SS**  cis-169.8166-7.9-105159.8-137.800107.2
445M29.8Very low29Very low138 Ų138144 Ų14468%0.6875%0.746SS**  cis-176.6147.9-25.4166.5165.8161.800110.3
446E28.9Very low29.2Very low164 Ų164143.3 Ų143.377%0.76674%0.742SS**  trans63.4160.6165.8-79.3-179.117300119.8
447S28.2Very low29.2Very low92 Ų92143.1 Ų143.164%0.64374%0.74SS**  cis-162.4156.1-19.251.60000113.9
448T28.8Very low29.3Very low128 Ų128149 Ų14979%0.78575%0.747SS**  trans21155146.157.40000124.5
449E29.8Very low28.7Very low191 Ų191148.3 Ų148.389%0.89375%0.745SS**  cis-133.8-116.710.7-70-166.895.400115.6
450D28.5Very low28.8Very low132 Ų132148 Ų14871%0.70675%0.749SS**  trans-155.6-175.5-165.5175.741.1000111.9
451V27.8Very low28.7Very low106 Ų106150.4 Ų150.464%0.64275%0.754SS**  trans137.172.4135.7-172.90000114.3
452K26Very low28.6Very low167 Ų167151.5 Ų151.573%0.72676%0.756SS**  49.6108.6112.4-175.9-172.8-173.21710121.1
453R25.5Very low28Very low217 Ų217151.2 Ų151.282%0.81976%0.757SS**  trans-178.4129.7132.4-102.1168.1-87.5-162.2-3.5111.7
454R26.8Very low27.7Very low221 Ų221158.3 Ų158.383%0.83477%0.77SS**  62.2137.788.8-77.1-166.4176.5-166.1-0.4114.1
455L28.1Very low27.5Very low150 Ų150156.8 Ų156.879%0.78577%0.773SS**  cis-146-174.224.3-84.3104.5000110.5
456D30Very low27.2Very low128 Ų128158.3 Ų158.368%0.68478%0.777SS**  cis165.6124.3-3817910.6000108.8
457V24.1Very low27.1Very low139 Ų139157.5 Ų157.584%0.84278%0.777SS**  trans-144.6103164.6-171.80000112.3
458R27.6Very low26.8Very low225 Ų225158.2 Ų158.285%0.84978%0.782SS**  trans2.8153.3140.2-79.9-178.1151.7137.9-5.2119.5
459S28.4Very low26.6Very low96 Ų96157.5 Ų157.567%0.67178%0.782SS**  cis-176.9-170.4-11.2-162.20000106.2
460I27.4Very low26.2Very low155 Ų155153.3 Ų153.380%0.79577%0.773SS**  cis-150.1136.215.4-55.9172.6000105
461F26.3Very low25.9Very low178 Ų178156.1 Ų156.178%0.78178%0.782SS**  cis101.197.122.4-165.7-76.9000115.1
462K26.2Very low25.8Very low197 Ų197162.5 Ų162.586%0.85780%0.795SS**  trans177.3133.6158.8-97.6174.7-174.7-177.10109
463S28.1Very low26.3Very low105 Ų105159.9 Ų159.973%0.73480%0.795SS**  cis-153.4156.3-7-70.40000110.6
464Y26.8Very low26.2Very low218 Ų218155.9 Ų155.986%0.85580%0.795SS**  trans-124.8153.3170.6-84.4-92.3000110.8
465T23.5Very low26.2Very low145 Ų145152.1 Ų152.189%0.8979%0.79SS**  trans-147.1165153.1-25.30000110.6
466F23.7Very low26.1Very low171 Ų171150 Ų15075%0.7579%0.785SS**  trans-140.8164.2-162.4-108-76.7000112.4
467L27.6Very low25.8Very low147 Ų147152.2 Ų152.277%0.7779%0.791SS**  trans73.2131.1145.5-77.4163.1000123.3
468S22.4Very low25.7Very low107 Ų107151.7 Ų151.775%0.74879%0.788SS**  trans91.3155.7131.6-71.50000123.4
469S23.1Very low25.6Very low112 Ų112145.9 Ų145.978%0.78378%0.782SS**  trans68.8118.7-175.1-135.80000115
470S22.5Very low25.3Very low103 Ų103153 Ų15372%0.7279%0.794SS**  cis76.799.438.4-170.50000114.3
471E22.1Very low25.1Very low191 Ų191149.3 Ų149.389%0.89379%0.786SS**  -167.2154.4117-105.4173.6-17500114.1
472R25.5Very low25.1Very low240 Ų240148.1 Ų148.191%0.90679%0.789SS**  trans-146.7154.4169.5-90.6-171.9-179.7-1751.1104.4
473P37.2Very low24.8Very low113 Ų113143.1 Ų143.173%0.73478%0.784SS**  cis-143.3-154.947.241.4-18.1000112.4
474V22.4Very low24.6Very low133 Ų133142.8 Ų142.881%0.80678%0.781SS**  -144.6154.660.1167.80000110.7
475I26.4Very low24.5Very low142 Ų142138.8 Ų138.873%0.72877%0.774SS**  trans-118.5165.7176.2-22.7176.9000109
476P27.7Very low24.5Very low106 Ų106137.2 Ų137.269%0.68876%0.76SS**  -140.8139.697.226.7-7.7000115.7
477Q22.6Very low24.7Very low174 Ų174139.2 Ų139.281%0.81376%0.763SS**  41.5144.6125.5-57.9173.1-84.300119.3
478V23.3Very low24.8Very low128 Ų128138 Ų13878%0.77676%0.757SS**  -154.5156.359.5162.30000112.1
479S25.4Very low25Very low103 Ų103143.2 Ų143.272%0.7277%0.766SS**  trans7.4137.2161.8-52.10000120.7
480R21.1Very low25.2Very low244 Ų244144.3 Ų144.392%0.92176%0.763SS**  cis6396.844-166.9-163.4-154.3166.710.1115.2
481A23Very low25.5Very low78 Ų78145.1 Ų145.165%0.64576%0.764SS**  trans173.2139.1132.400000112.8
482N25.7Very low25.9Very low154 Ų154141.6 Ų141.682%0.82476%0.758SS**  trans66.3143.3149.9-55.5-5.5000117
483A21.7Very low26.2Very low91 Ų91136.3 Ų136.375%0.75275%0.754SS**  cis70.4132.841.900000112.2
484S24Very low25.8Very low98 Ų98136.2 Ų136.269%0.68576%0.756SS**  cis-174.3172.80.247.60000111.2
485L23.1Very low26.2Very low134 Ų134135.8 Ų135.870%0.70276%0.756SS**  trans70.6146.7157.4-95.368.5000118.2
486D24.5Very low27Very low113 Ų113134.4 Ų134.460%0.60476%0.757SS**  trans31.9126.1131.2-44.3-12.1000117.1
487W27.9Very low26.9Very low212 Ų212138.5 Ų138.580%0.80377%0.767SS**  -156.2125.468.3-121-101.1000111.6
488L29.1Very low27Very low122 Ų122139 Ų13964%0.63977%0.766SS**  34.6120.6127.3-78.1147.8000120D490L488-D490 PolarHBondContact O-N 2.96Å
489F27.6Very low27.6Very low217 Ų217138.9 Ų138.995%0.95277%0.768SS**  trans-67.8102.1145.9-74.9-83.7000109.1
490D25.8Very low27.5Very low134 Ų134140.2 Ų140.272%0.71778%0.777SS**  trans-118.7143.5169.3-129.9-33.1000110.6L488L488-D490 PolarHBondContact O-N 2.96Å
491T28.6Very low27.8Very low121 Ų121132.9 Ų132.974%0.74277%0.769SS**  trans-106141.3-165.6-56.90000110.6
492P32Very low28Very low116 Ų116135.8 Ų135.875%0.75378%0.778SS**PPolyproline II helixtrans-62.5153.4-172.421.6-33.9000115.1
493P30.6Very low28.8Very low129 Ų129134 Ų13484%0.83878%0.775SS**PPolyproline II helixtrans-89.7164.5-161.835.5-38.6000116.6
494S29.6Very low29.1Very low111 Ų111134.3 Ų134.378%0.77677%0.772SS**PPolyproline II helixtrans-90.8171.4-176.40.30000115.2
495P31.1Very low29.3Very low124 Ų124134.9 Ų134.981%0.80578%0.776SS**PPolyproline II helixtrans-91.4156.415735.5-31.2000112.9
496P43.3Very low29.9Very low114 Ų114134.2 Ų134.274%0.7478%0.78SS**  trans-130.4167.8-159.142.5-28000117.3
497Q25.6Very low30.2Very low191 Ų191134.2 Ų134.289%0.89379%0.785SS**  trans164.7153145.3-94170.761.600110.2
498K24.6Very low30.4Very low186 Ų186130.1 Ų130.181%0.80979%0.787SS**  cis-162145.4-27.7-170.2168.7-179.3179.70107.3
499P35.5Very low30.4Very low125 Ų125132.3 Ų132.381%0.81280%0.798SS**  trans-101.3172.9-156.738.7-38.2000117.3
500S23Very low30.7Very low130 Ų130127.5 Ų127.591%0.90979%0.788SS**  trans-143.6177.1160.9-1640000110.7
501A26.6Very low30.8Very low91 Ų91132.9 Ų132.975%0.75280%0.799SS**  trans-116.7168-142.800000120.2
502V28.7Very low30.8Very low138 Ų138133.5 Ų133.584%0.83680%0.802SS**  trans-54.4175.3169.5-100.10000115.5
503P42.6Very low30.6Very low118 Ų118133.9 Ų133.977%0.76680%0.803SS**  cis-132.8-150.917.645.4-25.5000113.6
504S27.8Very low30.7Very low96 Ų96136.5 Ų136.567%0.67180%0.803SS**  cis-163169.43.853.60000114.1
505S28.3Very low30.8Very low110 Ų110140.6 Ų140.677%0.76981%0.81SS**  trans89.1159.6142.694.10000119.7
506P34.5Very low30.6Very low121 Ų121144 Ų14479%0.78681%0.812SS**  -136.1-132.9-120.337.8-10.6000116.2
507P30.8Very low30.2Very low112 Ų112144.7 Ų144.773%0.72781%0.814SS**  -108.8168.9-128.738.9-21.4000116.6
508P32.6Very low30.7Very low127 Ų127139.4 Ų139.483%0.82580%0.803SS**  trans-86.9154.5-179.134.7-35.8000115.1
509L30.1Very low31.5Very low168 Ų168135.7 Ų135.788%0.8880%0.798SS**  trans-110159168.9-87.5168.1000110.9
510P32.7Very low32.1Very low115 Ų115137.7 Ų137.775%0.74780%0.801SS**  trans-81.8162.7-161.832.8-37.5000114.8
511R27.7Very low33.8Very low248 Ų248137.2 Ų137.294%0.93678%0.783SS**  trans-128.9155.8162.6-79.2-174.2170164.3-1.7110.8
512T28.7Very low35.7Very low134 Ų134136.3 Ų136.382%0.82277%0.768SS**  trans-79.3160.7-160.945.40000114.9
513T29.2Very low37.3Very low123 Ų123137.9 Ų137.976%0.75576%0.763SS**  trans-49.2138.1168.433.90000113.6
514H31.1Very low38.4Very low184 Ų184136.3 Ų136.385%0.85275%0.752SS**  trans-167.699.8132.3-89.6-56.9000109K516H514-K516 PolarHBondContact O-N 2.95Å
515Q32.1Very low40.3Very low198 Ų198136.2 Ų136.293%0.92574%0.741SS**  trans-71.3107.7162.3-80.6-178-19.900108.2
516K28.1Very low42.6Very low195 Ų195135 Ų13585%0.84872%0.724SS**  trans-98.6103.8167.8-170.4175-177.3-178.90108.5H514 A518H514-K516 PolarHBondContact O-N 2.95Å; K516-A518 PolarHBondContact O-N 3.26Å
517V34.4Very low44.5Very low129 Ų129133.7 Ų133.778%0.78271%0.71SS**PPolyproline II helixtrans-56.7131.5170.6179.40000108.5
518A35.4Very low46.8Very low80 Ų80133 Ų13366%0.66170%0.7SS**PPolyproline II helixtrans-68.7134.9174.200000109.3K516K516-A518 PolarHBondContact O-N 3.26Å
519P41.8Very low49.1Very low108 Ų108130.8 Ų130.870%0.70168%0.681SS**PPolyproline II helixtrans-65.2147.7175.929.3-34.5000110.1K521P519-K521 PolarHBondContact O-N 2.86Å
520L47.5Very low51.5Low166 Ų166127.1 Ų127.187%0.86966%0.66SS**PPolyproline II helixtrans-63.6124165-72.489.5000107.9T522L520-T522 PolarHBondContact O-N 3.25Å
521K58.3Low53.4Low121 Ų121127.1 Ų127.153%0.52665%0.65SS.*PPolyproline II helixtrans-59.6134.7175.3-70.9-170.6175.7-169.70109.9P519 E525 I526P519-K521 PolarHBondContact O-N 2.86Å; K521-E525 HydrophobicContact CB-CB 4.31Å; K521-I526 HydrophobicContact CB-CG1 4.2Å
522T66.9Low55.7Low71 Ų71121.5 Ų121.544%0.43663%0.634SS.*PPolyproline II helixtrans-71.8157175.757.90000111.3L520 T524 E525 I526L520-T522 PolarHBondContact O-N 3.25Å; T522-T524 PolarHBondContact O-N 2.86Å; T522-T524 VanDerWaalsContact O-N 3.09Å; T522-T524 PolarHBondContact OG1-OG1 2.69Å; T522-T524 VanDerWaalsContact OG1-OG1 3.06Å; T522-E525 WeakPolarHBondContact CB-OE2 3.16Å; T522-E525 PolarHBondContact N-OE2 3.2Å; T522-E525 PolarHBondContact O-N 2.95Å; T522-E525 WeakPolarHBondContact OG1-CG 3.31Å; T522-E525 PolarHBondContact OG1-OE2 3.34Å; T522-I526 PolarHBondContact O-N 2.99Å; T522-I526 VanDerWaalsContact O-N 3.16Å
523K63.6Low58.1Low171 Ų171118.3 Ų118.374%0.74361%0.612SS**Hα-helixtrans-57-28.2-178.6-170.5172.5-178.8175.30113.1L527K523-L527 WeakPolarHBondContact O-CG 3.48Å; K523-L527 PolarHBondContact O-N 3.28Å
524T64.6Low60.2Low86 Ų86117.4 Ų117.453%0.52860%0.602SS.*Hα-helixtrans-69.4-48.5172.437.60000112.6T522 I526 L527 D528T522-T524 PolarHBondContact O-N 2.86Å; T522-T524 VanDerWaalsContact O-N 3.09Å; T522-T524 PolarHBondContact OG1-OG1 2.69Å; T522-T524 VanDerWaalsContact OG1-OG1 3.06Å; T524-I526 PolarHBondContact O-N 3.13Å; T524-L527 PolarHBondContact O-N 3.42Å; T524-D528 PolarHBondContact O-N 3.04Å
525E68.9Low62.1Low94 Ų94111.3 Ų111.344%0.43958%0.584SS.*Hα-helixtrans-64.4-21.7177.6-67.1166.3111.100113.2K521 T522 L529K521-E525 HydrophobicContact CB-CB 4.31Å; T522-E525 WeakPolarHBondContact CB-OE2 3.16Å; T522-E525 PolarHBondContact N-OE2 3.2Å; T522-E525 PolarHBondContact O-N 2.95Å; T522-E525 WeakPolarHBondContact OG1-CG 3.31Å; T522-E525 PolarHBondContact OG1-OE2 3.34Å; E525-L529 WeakPolarHBondContact O-CB 3.46Å; E525-L529 PolarHBondContact O-N 2.89Å
526I75.1Confident63.7Low83 Ų83106.8 Ų106.843%0.42657%0.566SS.*Hα-helixtrans-77-46.5171-62.3170.5000110.1K521 T522 T524 D528 L529 E530K521-I526 HydrophobicContact CB-CG1 4.2Å; T522-I526 PolarHBondContact O-N 2.99Å; T522-I526 VanDerWaalsContact O-N 3.16Å; T524-I526 PolarHBondContact O-N 3.13Å; I526-D528 PolarHBondContact O-N 3.01Å; I526-L529 PolarHBondContact O-N 3.49Å; I526-E530 WeakPolarHBondContact O-CG 3.27Å; I526-E530 PolarHBondContact O-N 3.37Å
527L74.1Confident65.7Low94 Ų94102.8 Ų102.849%0.49255%0.55SS..Hα-helixtrans-62.2-42177.1-75166.6000112.4K523 T524 L529 E530 H531K523-L527 WeakPolarHBondContact O-CG 3.48Å; K523-L527 PolarHBondContact O-N 3.28Å; T524-L527 PolarHBondContact O-N 3.42Å; L527-L529 VanDerWaalsContact C-N 3.33Å; L527-L529 PolarHBondContact O-N 2.97Å; L527-E530 PolarHBondContact O-N 3.25Å; L527-H531 PolarHBondContact O-N 3.49Å; L527-H531 PolarHBondContact O-ND1 3Å
528D79.8Confident67Low97 Ų97102.9 Ų102.952%0.51954%0.54SS..Hα-helixtrans-64.5-38.1177.3-64.7-28.7000111.6T524 I526 H531 E532T524-D528 PolarHBondContact O-N 3.04Å; I526-D528 PolarHBondContact O-N 3.01Å; D528-H531 PolarHBondContact O-N 3.41Å; D528-H531 IonicContact OD1-ND1 2.66Å; D528-E532 PolarHBondContact O-N 3.35Å
529L82.1Confident68.4Low81 Ų81100.4 Ų100.442%0.42452%0.519SS..Hα-helixtrans-65.4-37.8173.5-173.368.6000112.3E525 I526 L527 E532 N533E525-L529 WeakPolarHBondContact O-CB 3.46Å; E525-L529 PolarHBondContact O-N 2.89Å; I526-L529 PolarHBondContact O-N 3.49Å; L527-L529 VanDerWaalsContact C-N 3.33Å; L527-L529 PolarHBondContact O-N 2.97Å; L529-E532 PolarHBondContact O-N 2.94Å; L529-N533 VanDerWaalsContact O-CB 3.3Å; L529-N533 WeakPolarHBondContact O-CB 3.49Å; L529-N533 PolarHBondContact O-N 3.45Å
530E79.9Confident69.3Low91 Ų9199.2 Ų99.243%0.42551%0.507SS..Hα-helixtrans-72.6-28.7174.7-65-59.216700112.6I526 L527 N533 L534I526-E530 WeakPolarHBondContact O-CG 3.27Å; I526-E530 PolarHBondContact O-N 3.37Å; L527-E530 PolarHBondContact O-N 3.25Å; E530-N533 PolarHBondContact OE2-ND2 2.97Å; E530-L534 WeakPolarHBondContact O-CB 3.5Å; E530-L534 VanDerWaalsContact O-CG 3.31Å; E530-L534 WeakPolarHBondContact O-CG 3.3Å; E530-L534 PolarHBondContact O-N 3.09Å
531H71.7Confident70.1Confident116 Ų11693.8 Ų93.854%0.53749%0.486SS..Hα-helixtrans-66.6-40.6169.4-67.5130.8000112L527 D528 A535L527-H531 PolarHBondContact O-N 3.49Å; L527-H531 PolarHBondContact O-ND1 3Å; D528-H531 PolarHBondContact O-N 3.41Å; D528-H531 IonicContact OD1-ND1 2.66Å; H531-A535 WeakPolarHBondContact O-CB 3.44Å; H531-A535 PolarHBondContact O-N 2.96Å
532E76.7Confident69.9Low129 Ų12991.1 Ų91.160%0.60348%0.48SS*.Hα-helixtrans-65.5-44.7172.4-69.9-171148.400111.4D528 L529 L534 A535 D536D528-E532 PolarHBondContact O-N 3.35Å; L529-E532 PolarHBondContact O-N 2.94Å; E532-L534 VanDerWaalsContact C-N 3.34Å; E532-L534 PolarHBondContact O-N 2.87Å; E532-A535 WeakPolarHBondContact O-CB 3.41Å; E532-A535 PolarHBondContact O-N 3.49Å; E532-D536 PolarHBondContact O-N 3.33Å
533N79.3Confident69.3Low67 Ų6789.5 Ų89.536%0.35847%0.47SS..Hα-helixtrans-56.7-43.1174.9-173.817.1000112.5L529 E530 D536 Q537L529-N533 VanDerWaalsContact O-CB 3.3Å; L529-N533 WeakPolarHBondContact O-CB 3.49Å; L529-N533 PolarHBondContact O-N 3.45Å; E530-N533 PolarHBondContact OE2-ND2 2.97Å; N533-D536 PolarHBondContact O-N 3.44Å; N533-Q537 VanDerWaalsContact CG-NE2 3.33Å; N533-Q537 WeakPolarHBondContact O-CB 3.35Å; N533-Q537 VanDerWaalsContact O-CG 3.29Å; N533-Q537 WeakPolarHBondContact O-CG 3.36Å; N533-Q537 PolarHBondContact O-N 2.89Å; N533-Q537 PolarHBondContact OD1-NE2 2.96Å
534L73.7Confident68.7Low104 Ų10486.5 Ų86.555%0.54547%0.466SS..Hα-helixtrans-66.9-36.6174.4-78.8165.9000112.7E530 E532 F538E530-L534 WeakPolarHBondContact O-CB 3.5Å; E530-L534 VanDerWaalsContact O-CG 3.31Å; E530-L534 WeakPolarHBondContact O-CG 3.3Å; E530-L534 PolarHBondContact O-N 3.09Å; E532-L534 VanDerWaalsContact C-N 3.34Å; E532-L534 PolarHBondContact O-N 2.87Å; L534-F538 WeakPolarHBondContact O-CB 3.5Å; L534-F538 PolarHBondContact O-N 3.35Å
535A70.3Confident67.7Low57 Ų5787.8 Ų87.847%0.47147%0.474SS..Hα-helixtrans-67.5-39.9176.100000112H531 E532 F538 A539H531-A535 WeakPolarHBondContact O-CB 3.44Å; H531-A535 PolarHBondContact O-N 2.96Å; E532-A535 WeakPolarHBondContact O-CB 3.41Å; E532-A535 PolarHBondContact O-N 3.49Å; A535-F538 PolarHBondContact O-N 2.71Å; A535-A539 WeakPolarHBondContact O-CB 3.08Å; A535-A539 PolarHBondContact O-N 3.48Å
536D66.3Low66.3Low103 Ų10387 Ų8755%0.55148%0.479SS*.Hα-helixtrans-67.5-46175.5-78-19.4000111.6E532 N533 F538 A539 D540E532-D536 PolarHBondContact O-N 3.33Å; N533-D536 PolarHBondContact O-N 3.44Å; D536-F538 VanDerWaalsContact C-N 3.25Å; D536-F538 PolarHBondContact O-N 2.94Å; D536-A539 WeakPolarHBondContact O-CB 3.46Å; D536-A539 PolarHBondContact O-N 3.42Å; D536-A539 VanDerWaalsContact O-N 3.08Å; D536-D540 PolarHBondContact O-N 2.89Å
537Q68.9Low64.4Low110 Ų11087.9 Ų87.951%0.51449%0.49SS..Hα-helixtrans-58.4-37.4173.8-73.5174.150.100112.3N533 A541N533-Q537 VanDerWaalsContact CG-NE2 3.33Å; N533-Q537 WeakPolarHBondContact O-CB 3.35Å; N533-Q537 VanDerWaalsContact O-CG 3.29Å; N533-Q537 WeakPolarHBondContact O-CG 3.36Å; N533-Q537 PolarHBondContact O-N 2.89Å; N533-Q537 PolarHBondContact OD1-NE2 2.96Å; Q537-A541 WeakPolarHBondContact O-CB 3.33Å; Q537-A541 PolarHBondContact O-N 2.73Å
538F62Low62.9Low132 Ų13289.8 Ų89.858%0.57951%0.508SS*.Hα-helixtrans-69.2-39.9174.3-173.9-97.9000112.2L534 A535 D536 A541 V542L534-F538 WeakPolarHBondContact O-CB 3.5Å; L534-F538 PolarHBondContact O-N 3.35Å; A535-F538 PolarHBondContact O-N 2.71Å; D536-F538 VanDerWaalsContact C-N 3.25Å; D536-F538 PolarHBondContact O-N 2.94Å; F538-A541 PolarHBondContact O-N 3.43Å; F538-V542 HydrophobicContact CD1-CG2 4.19Å; F538-V542 HydrophobicContact CE1-CG2 3.85Å; F538-V542 HydrophobicContact CE2-CG2 4.41Å; F538-V542 HydrophobicContact CZ-CG2 3.97Å; F538-V542 WeakPolarHBondContact O-CB 3.45Å; F538-V542 VanDerWaalsContact O-CG2 3.29Å; F538-V542 WeakPolarHBondContact O-CG2 3.37Å; F538-V542 PolarHBondContact O-N 2.89Å
539A64.6Low61Low27 Ų2794.4 Ų94.422%0.22353%0.527CS..Hα-helixtrans-64.5-40.4176.100000112.4A535 D536 V542 T543A535-A539 WeakPolarHBondContact O-CB 3.08Å; A535-A539 PolarHBondContact O-N 3.48Å; D536-A539 WeakPolarHBondContact O-CB 3.46Å; D536-A539 PolarHBondContact O-N 3.42Å; D536-A539 VanDerWaalsContact O-N 3.08Å; A539-V542 PolarHBondContact O-N 3.48Å; A539-T543 WeakPolarHBondContact O-CB 3.25Å; A539-T543 WeakPolarHBondContact O-CG2 3.39Å; A539-T543 PolarHBondContact O-N 2.95Å; A539-T543 PolarHBondContact O-OG1 3.38Å
540D61.3Low58.6Low84 Ų8494.3 Ų94.345%0.44954%0.537SS..Hα-helixtrans-67.7-42.8174.2-91.2-2.7000111.5D536 V542 T543 T544D536-D540 PolarHBondContact O-N 2.89Å; D540-V542 VanDerWaalsContact C-N 3.31Å; D540-V542 PolarHBondContact O-N 2.9Å; D540-T543 PolarHBondContact O-N 2.9Å; D540-T543 PolarHBondContact O-OG1 3.35Å; D540-T544 VanDerWaalsContact O-CB 3.31Å; D540-T544 WeakPolarHBondContact O-CB 3.27Å; D540-T544 VanDerWaalsContact O-CG2 3.27Å; D540-T544 WeakPolarHBondContact O-CG2 3.36Å; D540-T544 PolarHBondContact O-N 3.44Å; D540-T544 PolarHBondContact O-OG1 2.9Å
541A64.2Low56.6Low51 Ų5193.3 Ų93.342%0.42155%0.552SS.*Hα-helixtrans-60-38.7174.500000112.8Q537 F538 T545Q537-A541 WeakPolarHBondContact O-CB 3.33Å; Q537-A541 PolarHBondContact O-N 2.73Å; F538-A541 PolarHBondContact O-N 3.43Å; A541-T545 VanDerWaalsContact O-CG2 3.26Å; A541-T545 WeakPolarHBondContact O-CG2 3.47Å; A541-T545 PolarHBondContact O-OG1 3.39Å
542V54.6Low55.1Low65 Ų6591.5 Ų91.539%0.39456%0.557SS.*Hα-helixtrans-75.7-27.4178.6170.40000112.7F538 A539 D540 T545F538-V542 HydrophobicContact CD1-CG2 4.19Å; F538-V542 HydrophobicContact CE1-CG2 3.85Å; F538-V542 HydrophobicContact CE2-CG2 4.41Å; F538-V542 HydrophobicContact CZ-CG2 3.97Å; F538-V542 WeakPolarHBondContact O-CB 3.45Å; F538-V542 VanDerWaalsContact O-CG2 3.29Å; F538-V542 WeakPolarHBondContact O-CG2 3.37Å; F538-V542 PolarHBondContact O-N 2.89Å; A539-V542 PolarHBondContact O-N 3.48Å; D540-V542 VanDerWaalsContact C-N 3.31Å; D540-V542 PolarHBondContact O-N 2.9Å; V542-T545 PolarHBondContact O-OG1 3Å
543T54.6Low53.5Low38 Ų3895.7 Ų95.723%0.23357%0.567CS.*Hα-helixtrans-89.5-41.5178.6560000113.3A539 D540 T545 S546A539-T543 WeakPolarHBondContact O-CB 3.25Å; A539-T543 WeakPolarHBondContact O-CG2 3.39Å; A539-T543 PolarHBondContact O-N 2.95Å; A539-T543 PolarHBondContact O-OG1 3.38Å; D540-T543 PolarHBondContact O-N 2.9Å; D540-T543 PolarHBondContact O-OG1 3.35Å; T543-T545 VanDerWaalsContact C-N 3.26Å; T543-T545 PolarHBondContact O-N 3.04Å; T543-S546 PolarHBondContact O-N 3.44Å; T543-S546 PolarHBondContact O-OG 2.84Å
544T49.6Very low51.9Low108 Ų10894.9 Ų94.966%0.66357%0.574SS**Hα-helixtrans-66.6-23.1179.255.60000113.8D540 S546D540-T544 VanDerWaalsContact O-CB 3.31Å; D540-T544 WeakPolarHBondContact O-CB 3.27Å; D540-T544 VanDerWaalsContact O-CG2 3.27Å; D540-T544 WeakPolarHBondContact O-CG2 3.36Å; D540-T544 PolarHBondContact O-N 3.44Å; D540-T544 PolarHBondContact O-OG1 2.9Å; T544-S546 PolarHBondContact O-N 3.47Å
545T43.9Very low50.7Low112 Ų11294.9 Ų94.969%0.68757%0.574SS**THydrogen-bonded Turntrans-78.62.5175.548.20000114.2A541 V542 T543A541-T545 VanDerWaalsContact O-CG2 3.26Å; A541-T545 WeakPolarHBondContact O-CG2 3.47Å; A541-T545 PolarHBondContact O-OG1 3.39Å; V542-T545 PolarHBondContact O-OG1 3Å; T543-T545 VanDerWaalsContact C-N 3.26Å; T543-T545 PolarHBondContact O-N 3.04Å
546S39.5Very low49.8Very low79 Ų7994.7 Ų94.755%0.55256%0.564SS**SBendtrans-101.3122.517769.80000112.9T543 T544T543-S546 PolarHBondContact O-N 3.44Å; T543-S546 PolarHBondContact O-OG 2.84Å; T544-S546 PolarHBondContact O-N 3.47Å
547P36Very low49.2Very low100 Ų10091.2 Ų91.265%0.64955%0.552SS**  trans-65.6143.8172-21.433.5000111.7E549P547-E549 VanDerWaalsContact C-N 3.28Å; P547-E549 PolarHBondContact O-N 3.16Å
548P43.1Very low48.5Very low135 Ų13591.1 Ų91.188%0.87756%0.555SS**SBendtrans-68.7-18.7-171.325.6-34.6000114.9
549E38.5Very low48.1Very low193 Ų19386.1 Ų86.190%0.90253%0.534SS*.  trans-111.662-174.9-65.7-16711600113.7P547P547-E549 VanDerWaalsContact C-N 3.28Å; P547-E549 PolarHBondContact O-N 3.16Å
550A32Very low47.6Very low79 Ų7990.7 Ų90.765%0.65355%0.549SS*.SBendtrans-144.486.616700000111.3A552A550-A552 PolarHBondContact O-N 3.19Å
551G38.1Very low47.1Very low70 Ų7089.8 Ų89.872%0.72255%0.546SS*.  trans-51.9105.2-164.300000116.9R553G551-R553 PolarHBondContact O-N 3.26Å
552A39.4Very low46.3Very low78 Ų7891.6 Ų91.665%0.64555%0.548SS*.SBendtrans56.3-19155.300000120.9A550A550-A552 PolarHBondContact O-N 3.19Å
553R43Very low46.1Very low217 Ų21794.5 Ų94.582%0.81956%0.558SS**  trans-108.31.3-162.7-59.3-172.6-170.6-140.42.9116.3G551 G557G551-R553 PolarHBondContact O-N 3.26Å; R553-G557 WeakPolarHBondContact O-CA 3.27Å; R553-G557 PolarHBondContact O-N 2.86Å
554G46.6Very low45.7Very low50 Ų50102 Ų10252%0.51558%0.582SS.*Hα-helixtrans-63.8-87.9-176.500000113.8E556 G557 L558G554-E556 PolarHBondContact O-N 2.9Å; G554-G557 PolarHBondContact O-N 2.95Å; G554-L558 WeakPolarHBondContact O-CG 3.44Å; G554-L558 PolarHBondContact O-N 2.99Å
555L47.3Very low45.5Very low104 Ų104100.6 Ų100.655%0.54557%0.57SS.*Hα-helixtrans-65.1-40.7-170.4-158.4154000112.8L232 G557 L558 L559L232-L555 HydrophobicContact CD1-CD2 4.46Å; L232-L555 HydrophobicContact CD2-CD2 3.93Å; L555-G557 VanDerWaalsContact C-N 3.34Å; L555-G557 PolarHBondContact O-N 3.02Å; L555-L558 WeakPolarHBondContact O-CB 3.37Å; L555-L558 PolarHBondContact O-N 2.9Å; L555-L559 HydrophobicContact CD2-CD1 3.78Å; L555-L559 HydrophobicContact CD2-CG 4.21Å; L555-L559 PolarHBondContact O-N 3.49Å
556E52.1Low45.5Very low53 Ų5399.9 Ų99.925%0.24857%0.568CS.*Hα-helixtrans-69.3-30.4177.7-158.6-173140.800112.7K228 L232 G554 K560K228-E556 WeakPolarHBondContact CE-OE2 3.21Å; K228-E556 IonicContact NZ-OE2 3.9Å; L232-E556 HydrophobicContact CD2-CB 4.16Å; L232-E556 HydrophobicContact CD2-CG 4.11Å; G554-E556 PolarHBondContact O-N 2.9Å; E556-K560 HydrophobicContact CG-CD 4.35Å; E556-K560 VanDerWaalsContact O-CB 3.3Å; E556-K560 WeakPolarHBondContact O-CB 3.3Å; E556-K560 WeakPolarHBondContact O-CG 3.43Å; E556-K560 PolarHBondContact O-N 2.92Å; E556-K560 IonicContact OE1-NZ 2.71Å; E556-K560 PolarHBondContact OE1-NZ 3.35Å
557G54.2Low45.6Very low30 Ų30103.3 Ų103.331%0.30957%0.573SS.*Hα-helixtrans-73-32.8171.500000112.8R553 G554 L555 T561R553-G557 WeakPolarHBondContact O-CA 3.27Å; R553-G557 PolarHBondContact O-N 2.86Å; G554-G557 PolarHBondContact O-N 2.95Å; L555-G557 VanDerWaalsContact C-N 3.34Å; L555-G557 PolarHBondContact O-N 3.02Å; G557-T561 WeakPolarHBondContact O-CG2 3.34Å; G557-T561 PolarHBondContact O-N 3.18Å; G557-T561 VanDerWaalsContact O-N 3.07Å; G557-T561 PolarHBondContact O-OG1 3.45Å
558L52.9Low45.8Very low108 Ų108100.9 Ų100.957%0.56556%0.561SS**Hα-helixtrans-66.3-48.9170.9-70.5168000110.9G554 L555 K560 T561 L562G554-L558 WeakPolarHBondContact O-CG 3.44Å; G554-L558 PolarHBondContact O-N 2.99Å; L555-L558 WeakPolarHBondContact O-CB 3.37Å; L555-L558 PolarHBondContact O-N 2.9Å; L558-K560 PolarHBondContact O-N 3.35Å; L558-T561 CarbonylContact O-C 3.56Å; L558-T561 PolarHBondContact O-N 3.05Å; L558-T561 VanDerWaalsContact O-N 3.09Å; L558-T561 PolarHBondContact O-OG1 2.93Å; L558-L562 WeakPolarHBondContact O-CG 3.41Å; L558-L562 PolarHBondContact O-N 3.1Å
559L54.5Low45.4Very low27 Ų2799.3 Ų99.314%0.14156%0.559CS.*Hα-helixtrans-63.1-43176.7-70.7176000112.5L232 L555 T561 L562 Q563L232-L559 HydrophobicContact CD2-CD1 3.66Å; L555-L559 HydrophobicContact CD2-CD1 3.78Å; L555-L559 HydrophobicContact CD2-CG 4.21Å; L555-L559 PolarHBondContact O-N 3.49Å; L559-T561 PolarHBondContact O-N 3.48Å; L559-L562 HydrophobicContact CD2-CD1 4.3Å; L559-L562 CarbonylContact O-C 3.57Å; L559-L562 PolarHBondContact O-N 3.1Å; L559-Q563 PolarHBondContact O-N 3.37Å
560K53.3Low45.6Very low124 Ų12497.5 Ų97.554%0.53954%0.544SS..Hα-helixtrans-67.2-14.4174.3-74.4171.4174.4169.60114.2E556 L558E556-K560 HydrophobicContact CG-CD 4.35Å; E556-K560 VanDerWaalsContact O-CB 3.3Å; E556-K560 WeakPolarHBondContact O-CB 3.3Å; E556-K560 WeakPolarHBondContact O-CG 3.43Å; E556-K560 PolarHBondContact O-N 2.92Å; E556-K560 IonicContact OE1-NZ 2.71Å; E556-K560 PolarHBondContact OE1-NZ 3.35Å; L558-K560 PolarHBondContact O-N 3.35Å
561T52.2Low46.4Very low64 Ų64103.8 Ų103.839%0.39356%0.557SS.*Hα-helixtrans-98-14.9168.155.60000113.7G557 L558 L559 R570G557-T561 WeakPolarHBondContact O-CG2 3.34Å; G557-T561 PolarHBondContact O-N 3.18Å; G557-T561 VanDerWaalsContact O-N 3.07Å; G557-T561 PolarHBondContact O-OG1 3.45Å; L558-T561 CarbonylContact O-C 3.56Å; L558-T561 PolarHBondContact O-N 3.05Å; L558-T561 VanDerWaalsContact O-N 3.09Å; L558-T561 PolarHBondContact O-OG1 2.93Å; L559-T561 PolarHBondContact O-N 3.48Å; T561-R570 PolarHBondContact O-NH2 3.43Å
562L47.9Very low46.6Very low89 Ų89108.5 Ų108.547%0.46656%0.56SS.*Hα-helixtrans-83.7-24.1169.1-72.8164.6000112.6L558 L559 R564L558-L562 WeakPolarHBondContact O-CG 3.41Å; L558-L562 PolarHBondContact O-N 3.1Å; L559-L562 HydrophobicContact CD2-CD1 4.3Å; L559-L562 CarbonylContact O-C 3.57Å; L559-L562 PolarHBondContact O-N 3.1Å; L562-R564 PolarHBondContact O-N 2.93Å
563Q48.8Very low46.7Very low126 Ų126112.7 Ų112.759%0.58957%0.571SS**SBendtrans-59.31.1166.7-80.6-175.2-32.600114.7L559L559-Q563 PolarHBondContact O-N 3.37Å
564R47.1Very low46.5Very low197 Ų197108 Ų10874%0.74357%0.569SS**SBendtrans-118.7116.3175.7-166.5178.9-161.5122.65.7109.1L562L562-R564 PolarHBondContact O-N 2.93Å
565D45.7Very low46.5Very low78 Ų78117 Ų11742%0.41759%0.587SS.*  trans2.7107.7179.3176.818.9000115.1F567 A568D565-F567 PolarHBondContact O-N 2.9Å; D565-F567 WeakPolarHBondContact OD1-CB 3.37Å; D565-F567 PolarHBondContact OD1-N 3.49Å; D565-A568 HydrophobicContact CB-CB 4.08Å; D565-A568 VanDerWaalsContact O-CB 3.27Å; D565-A568 WeakPolarHBondContact O-CB 3.41Å; D565-A568 PolarHBondContact O-N 3.32Å
566P44Very low46.5Very low97 Ų97116.7 Ų116.763%0.6359%0.589SS**THydrogen-bonded Turntrans-61.3-15.818026-33.9000113.6
567F40.9Very low46.6Very low150 Ų150118 Ų11866%0.65860%0.602SS**THydrogen-bonded Turntrans-93.14.3175.7-56.3-78.2000114D565 A569D565-F567 PolarHBondContact O-N 2.9Å; D565-F567 WeakPolarHBondContact OD1-CB 3.37Å; D565-F567 PolarHBondContact OD1-N 3.49Å; F567-A569 PolarHBondContact O-N 2.88Å
568A39.9Very low46.6Very low49 Ų49124.3 Ų124.341%0.40562%0.624SS.*SBendtrans-80.697.1176.800000112D565 R570D565-A568 HydrophobicContact CB-CB 4.08Å; D565-A568 VanDerWaalsContact O-CB 3.27Å; D565-A568 WeakPolarHBondContact O-CB 3.41Å; D565-A568 PolarHBondContact O-N 3.32Å; A568-R570 PolarHBondContact O-N 3.04Å; A568-R570 VanDerWaalsContact O-N 3.08Å
569A35Very low46.6Very low102 Ų102122.5 Ų122.584%0.84362%0.62SS**  trans-55.7110.9-176.200000113.7F567F567-A569 PolarHBondContact O-N 2.88Å
570R41.9Very low46.7Very low155 Ų155126.1 Ų126.159%0.58564%0.639SS**  trans-78131.5178.1-58.5-177.2-175.2-171.21.6110.4T561 A568 Q572T561-R570 PolarHBondContact O-NH2 3.43Å; A568-R570 PolarHBondContact O-N 3.04Å; A568-R570 VanDerWaalsContact O-N 3.08Å; R570-Q572 VanDerWaalsContact C-N 3.32Å; R570-Q572 PolarHBondContact O-N 3.15Å
571K48.6Very low47.6Very low212 Ų212124 Ų12492%0.92263%0.633SS**SBendtrans-73.7-12.8-172.2-73.3-170.9176-177.20116.1
572Q43.7Very low48.1Very low169 Ų169127.1 Ų127.179%0.7965%0.645SS**SBendtrans-144.8138.7174.2-68-177.4-14.900108.6R570R570-Q572 VanDerWaalsContact C-N 3.32Å; R570-Q572 PolarHBondContact O-N 3.15Å
573L41.4Very low49.1Very low165 Ų165127.7 Ų127.786%0.86465%0.648SS**PPolyproline II helixtrans-77.3137.9167.3-73.386000108.9R575L573-R575 PolarHBondContact O-N 3.44Å
574P39.1Very low50.6Low119 Ų119125.3 Ų125.377%0.77364%0.642SS**PPolyproline II helixtrans-64131.1167.428.6-32.9000109
575R46.5Very low51.9Low240 Ų240123 Ų12391%0.90664%0.637SS**PPolyproline II helixtrans-65.2144.9171.7-79.1-177.6169.7143.4-2.7109.8L573L573-R575 PolarHBondContact O-N 3.44Å
576T46.7Very low53Low96 Ų96122.6 Ų122.659%0.58964%0.641SS**PPolyproline II helixtrans-57.1132169.243.30000110.1
577P54Low54.7Low80 Ų80121.6 Ų121.652%0.51964%0.636SS.*PPolyproline II helixtrans-66.1137.6179.627.4-33.8000110.7S579 L580P577-S579 PolarHBondContact O-N 2.95Å; P577-L580 HydrophobicContact CG-CB 4.35Å; P577-L580 WeakPolarHBondContact O-CB 3.41Å; P577-L580 PolarHBondContact O-N 3.19Å
578E53.7Low55.9Low164 Ų164122.8 Ų122.877%0.76664%0.636SS**Hα-helixtrans-64.6-25.1-172.9-60.5-174.4147.100113L580 I581 M582E578-L580 VanDerWaalsContact C-N 3.3Å; E578-L580 PolarHBondContact O-N 3.45Å; E578-I581 WeakPolarHBondContact O-CB 3.14Å; E578-I581 PolarHBondContact O-N 3.38Å; E578-M582 WeakPolarHBondContact O-CB 3.47Å; E578-M582 PolarHBondContact O-N 2.96Å
579S54.1Low57.9Low70 Ų70128.4 Ų128.449%0.4965%0.647SS.*Hα-helixtrans-57.6-38.9170.852.40000112.9P577 M582 N583P577-S579 PolarHBondContact O-N 2.95Å; S579-M582 PolarHBondContact O-N 3.04Å; S579-N583 WeakPolarHBondContact O-CB 3.43Å; S579-N583 PolarHBondContact O-N 3.19Å; S579-N583 PolarHBondContact O-OD1 3.42Å
580L57Low60.2Low103 Ų103130 Ų13054%0.53964%0.635SS.*Hα-helixtrans-67.5-40.9176.7-15788000110.9P577 E578 M582 N583 V584P577-L580 HydrophobicContact CG-CB 4.35Å; P577-L580 WeakPolarHBondContact O-CB 3.41Å; P577-L580 PolarHBondContact O-N 3.19Å; E578-L580 VanDerWaalsContact C-N 3.3Å; E578-L580 PolarHBondContact O-N 3.45Å; L580-M582 VanDerWaalsContact C-N 3.3Å; L580-M582 PolarHBondContact O-N 2.86Å; L580-N583 PolarHBondContact O-N 3.41Å; L580-V584 VanDerWaalsContact O-CG2 3.3Å; L580-V584 WeakPolarHBondContact O-CG2 3.38Å; L580-V584 PolarHBondContact O-N 3.08Å
581I70.6Confident61.7Low79 Ų79125.3 Ų125.341%0.40563%0.629SS.*Hα-helixtrans-64.2-38177-55.8176.2000110.4E578 K585E578-I581 WeakPolarHBondContact O-CB 3.14Å; E578-I581 PolarHBondContact O-N 3.38Å; I581-K585 WeakPolarHBondContact O-CB 3.47Å; I581-K585 WeakPolarHBondContact O-CG 3.36Å; I581-K585 PolarHBondContact O-N 3.11Å
582M63.7Low63.3Low130 Ų130119 Ų11964%0.6461%0.608SS**Hα-helixtrans-71.9-41.4178.1-167.1152.764.300112.4E578 S579 L580 K585 S586E578-M582 WeakPolarHBondContact O-CB 3.47Å; E578-M582 PolarHBondContact O-N 2.96Å; S579-M582 PolarHBondContact O-N 3.04Å; L580-M582 VanDerWaalsContact C-N 3.3Å; L580-M582 PolarHBondContact O-N 2.86Å; M582-K585 PolarHBondContact O-N 2.83Å; M582-S586 PolarHBondContact O-N 2.86Å; M582-S586 PolarHBondContact O-OG 3.19Å
583N69.1Low65Low101 Ų101116.1 Ų116.154%0.5460%0.595SS.*Hα-helixtrans-65.9-38.6175.8-70.8-2.6000112.3S579 L580 S586 S587S579-N583 WeakPolarHBondContact O-CB 3.43Å; S579-N583 PolarHBondContact O-N 3.19Å; S579-N583 PolarHBondContact O-OD1 3.42Å; L580-N583 PolarHBondContact O-N 3.41Å; N583-S586 PolarHBondContact O-N 3.2Å; N583-S586 PolarHBondContact O-OG 3.17Å; N583-S586 VanDerWaalsContact O-OG 3.05Å; N583-S587 VanDerWaalsContact O-CB 3.3Å; N583-S587 WeakPolarHBondContact O-CB 3.24Å; N583-S587 PolarHBondContact O-N 3.36Å
584V79.1Confident66.8Low75 Ų75112.6 Ų112.646%0.45557%0.574SS.*Hα-helixtrans-63.6-43.7171.4171.40000110.2L580 S586 S587 W588L580-V584 VanDerWaalsContact O-CG2 3.3Å; L580-V584 WeakPolarHBondContact O-CG2 3.38Å; L580-V584 PolarHBondContact O-N 3.08Å; V584-S586 PolarHBondContact O-N 3.08Å; V584-S587 PolarHBondContact O-N 3.42Å; V584-W588 WeakPolarHBondContact O-CB 3.33Å; V584-W588 VanDerWaalsContact O-CD1 3.25Å; V584-W588 PolarHBondContact O-N 3.01Å
585K75.6Confident68.7Low150 Ų150110.4 Ų110.465%0.65256%0.556SS**Hα-helixtrans-62.6-37.6177.1-81.4178.5175.3-1800113.9I581 M582 R589I581-K585 WeakPolarHBondContact O-CB 3.47Å; I581-K585 WeakPolarHBondContact O-CG 3.36Å; I581-K585 PolarHBondContact O-N 3.11Å; M582-K585 PolarHBondContact O-N 2.83Å; K585-R589 WeakPolarHBondContact O-CB 3.43Å; K585-R589 PolarHBondContact O-N 3.08Å; K585-R589 VanDerWaalsContact O-N 3.16Å
586S69.1Low70.1Confident69 Ų69105.1 Ų105.148%0.48354%0.541SS..Hα-helixtrans-74.1-40.9177.258.20000112.1M582 N583 V584 R589 K590M582-S586 PolarHBondContact O-N 2.86Å; M582-S586 PolarHBondContact O-OG 3.19Å; N583-S586 PolarHBondContact O-N 3.2Å; N583-S586 PolarHBondContact O-OG 3.17Å; N583-S586 VanDerWaalsContact O-OG 3.05Å; V584-S586 PolarHBondContact O-N 3.08Å; S586-R589 PolarHBondContact O-N 3.07Å; S586-K590 PolarHBondContact O-N 3.2Å; S586-K590 VanDerWaalsContact O-N 3.1Å
587S79.9Confident71.4Confident76 Ų76103.4 Ų103.453%0.53154%0.537SS..Hα-helixtrans-58.4-48.8173.3174.80000112N583 V584 R589 K590 A591N583-S587 VanDerWaalsContact O-CB 3.3Å; N583-S587 WeakPolarHBondContact O-CB 3.24Å; N583-S587 PolarHBondContact O-N 3.36Å; V584-S587 PolarHBondContact O-N 3.42Å; S587-R589 VanDerWaalsContact C-N 3.35Å; S587-R589 PolarHBondContact O-N 2.92Å; S587-K590 PolarHBondContact O-N 3.02Å; S587-A591 PolarHBondContact O-N 2.87Å
588W65.9Low72.3Confident175 Ų175104.4 Ų104.466%0.66353%0.533SS*.Hα-helixtrans-65.5-33.7177.9-86.678.8000113.4V584 V592V584-W588 WeakPolarHBondContact O-CB 3.33Å; V584-W588 VanDerWaalsContact O-CD1 3.25Å; V584-W588 PolarHBondContact O-N 3.01Å; W588-V592 VanDerWaalsContact O-CG2 3.32Å; W588-V592 WeakPolarHBondContact O-CG2 3.5Å; W588-V592 PolarHBondContact O-N 3.46Å
589R81.9Confident73.3Confident166 Ų166101.2 Ų101.263%0.62652%0.517SS*.Hα-helixtrans-61-50.9172.6177.2-175.6-61.6-81.21110.8K585 S586 S587 A591 V592 E593K585-R589 WeakPolarHBondContact O-CB 3.43Å; K585-R589 PolarHBondContact O-N 3.08Å; K585-R589 VanDerWaalsContact O-N 3.16Å; S586-R589 PolarHBondContact O-N 3.07Å; S587-R589 VanDerWaalsContact C-N 3.35Å; S587-R589 PolarHBondContact O-N 2.92Å; R589-A591 VanDerWaalsContact C-N 3.32Å; R589-A591 PolarHBondContact O-N 2.62Å; R589-V592 PolarHBondContact O-N 3.41Å; R589-V592 VanDerWaalsContact O-N 3.15Å; R589-E593 WeakPolarHBondContact CD-OE1 3.33Å; R589-E593 WeakPolarHBondContact CG-OE1 3.5Å; R589-E593 PolarHBondContact O-N 2.68Å
590K81.9Confident73.9Confident135 Ų135100.9 Ų100.959%0.58752%0.518SS*.Hα-helixtrans-62.5-38.6-178.2-167.5-180178.6-172.60112.4S586 S587 V592 E593 E594S586-K590 PolarHBondContact O-N 3.2Å; S586-K590 VanDerWaalsContact O-N 3.1Å; S587-K590 PolarHBondContact O-N 3.02Å; K590-V592 VanDerWaalsContact C-N 3.33Å; K590-V592 PolarHBondContact O-N 3.39Å; K590-E593 PolarHBondContact O-N 3.14Å; K590-E594 PolarHBondContact O-N 3.47Å
591A75.1Confident74.2Confident58 Ų5898.8 Ų98.848%0.47951%0.512SS..Hα-helixtrans-64-35175.900000113.2S587 R589 D595S587-A591 PolarHBondContact O-N 2.87Å; R589-A591 VanDerWaalsContact C-N 3.32Å; R589-A591 PolarHBondContact O-N 2.62Å; A591-D595 PolarHBondContact O-N 3.43Å
592V80.6Confident73.3Confident78 Ų78103.5 Ų103.547%0.47353%0.525SS..Hα-helixtrans-72.9-43.2175.1171.60000111.1W588 R589 K590 E594 D595 E596W588-V592 VanDerWaalsContact O-CG2 3.32Å; W588-V592 WeakPolarHBondContact O-CG2 3.5Å; W588-V592 PolarHBondContact O-N 3.46Å; R589-V592 PolarHBondContact O-N 3.41Å; R589-V592 VanDerWaalsContact O-N 3.15Å; K590-V592 VanDerWaalsContact C-N 3.33Å; K590-V592 PolarHBondContact O-N 3.39Å; V592-E594 VanDerWaalsContact C-N 3.27Å; V592-E594 PolarHBondContact O-N 2.97Å; V592-D595 PolarHBondContact O-N 3.18Å; V592-D595 VanDerWaalsContact O-N 3.11Å; V592-E596 HydrophobicContact CG1-CG 4.3Å; V592-E596 VanDerWaalsContact O-CG 3.27Å; V592-E596 WeakPolarHBondContact O-CG 3.43Å; V592-E596 PolarHBondContact O-N 2.92Å
593E81.1Confident72.8Confident109 Ų109100.8 Ų100.851%0.50952%0.519SS..Hα-helixtrans-61-35.5176.4-73.1162.1-178.800111.8R589 K590 A597R589-E593 WeakPolarHBondContact CD-OE1 3.33Å; R589-E593 WeakPolarHBondContact CG-OE1 3.5Å; R589-E593 PolarHBondContact O-N 2.68Å; K590-E593 PolarHBondContact O-N 3.14Å; E593-A597 WeakPolarHBondContact O-CB 3.4Å; E593-A597 PolarHBondContact O-N 2.94Å; E593-A597 VanDerWaalsContact O-N 3.09Å
594E77.8Confident72Confident92 Ų9298.6 Ų98.643%0.4352%0.515SS..Hα-helixtrans-69.5-34.9171.8-84.3-168.4-143.900114.5K590 V592 K598K590-E594 PolarHBondContact O-N 3.47Å; V592-E594 VanDerWaalsContact C-N 3.27Å; V592-E594 PolarHBondContact O-N 2.97Å; E594-K598 WeakPolarHBondContact O-CB 3.24Å; E594-K598 VanDerWaalsContact O-CD 3.25Å; E594-K598 WeakPolarHBondContact O-CD 3.45Å; E594-K598 WeakPolarHBondContact O-CG 3.34Å; E594-K598 PolarHBondContact O-N 3.32Å; E594-K598 IonicContact OE2-NZ 2.73Å; E594-K598 PolarHBondContact OE2-NZ 3.17Å
595D79.3Confident70.8Confident72 Ų72101.1 Ų101.139%0.38552%0.522SS..Hα-helixtrans-73.4-38.9178.3179.249.8000111.5A591 V592 K598 K599A591-D595 PolarHBondContact O-N 3.43Å; V592-D595 PolarHBondContact O-N 3.18Å; V592-D595 VanDerWaalsContact O-N 3.11Å; D595-K598 PolarHBondContact O-N 3.23Å; D595-K599 VanDerWaalsContact CG-NZ 3.3Å; D595-K599 WeakPolarHBondContact O-CG 3.29Å; D595-K599 PolarHBondContact O-N 3.05Å; D595-K599 VanDerWaalsContact OD1-CE 3.31Å; D595-K599 WeakPolarHBondContact OD1-CE 3.49Å; D595-K599 IonicContact OD1-NZ 2.68Å; D595-K599 PolarHBondContact OD1-NZ 3.15Å; D595-K599 WeakPolarHBondContact OD2-CE 3.38Å; D595-K599 IonicContact OD2-NZ 3.58Å; D595-K599 PolarHBondContact OD2-NZ 3.48Å
596E76.5Confident69.4Low129 Ų12999.3 Ų99.360%0.60352%0.519SS*.Hα-helixtrans-61-43.9170.3-62.5-101.2125.200110.8V592 K599 A600V592-E596 HydrophobicContact CG1-CG 4.3Å; V592-E596 VanDerWaalsContact O-CG 3.27Å; V592-E596 WeakPolarHBondContact O-CG 3.43Å; V592-E596 PolarHBondContact O-N 2.92Å; E596-K599 PolarHBondContact O-N 3.17Å; E596-A600 PolarHBondContact O-N 2.99Å
597A72.9Confident68.4Low61 Ų61102.7 Ų102.750%0.50453%0.527SS..Hα-helixtrans-63.1-41.6176.300000113E593 A600 S601E593-A597 WeakPolarHBondContact O-CB 3.4Å; E593-A597 PolarHBondContact O-N 2.94Å; E593-A597 VanDerWaalsContact O-N 3.09Å; A597-A600 WeakPolarHBondContact O-CB 3.42Å; A597-A600 PolarHBondContact O-N 3.33Å; A597-S601 PolarHBondContact O-N 2.91Å; A597-S601 VanDerWaalsContact O-N 3.08Å; A597-S601 PolarHBondContact O-OG 2.84Å
598K73.4Confident66.7Low101 Ų101104.8 Ų104.844%0.43953%0.532SS..Hα-helixtrans-66.3-36.3177.2-72.2158.3-164.9160.90112E594 D595 S601 W602E594-K598 WeakPolarHBondContact O-CB 3.24Å; E594-K598 VanDerWaalsContact O-CD 3.25Å; E594-K598 WeakPolarHBondContact O-CD 3.45Å; E594-K598 WeakPolarHBondContact O-CG 3.34Å; E594-K598 PolarHBondContact O-N 3.32Å; E594-K598 IonicContact OE2-NZ 2.73Å; E594-K598 PolarHBondContact OE2-NZ 3.17Å; D595-K598 PolarHBondContact O-N 3.23Å; K598-S601 WeakPolarHBondContact CA-OG 3.16Å; K598-S601 PolarHBondContact O-N 2.78Å; K598-S601 PolarHBondContact O-OG 3.42Å; K598-W602 PolarHBondContact O-N 3.35Å; K598-W602 VanDerWaalsContact O-N 3.16Å
599K74.2Confident65.6Low97 Ų97100.5 Ų100.542%0.42253%0.529SS..Hα-helixtrans-68.1-36.3172-72.5166.3-171.5162.50112.5D595 E596 S603D595-K599 VanDerWaalsContact CG-NZ 3.3Å; D595-K599 WeakPolarHBondContact O-CG 3.29Å; D595-K599 PolarHBondContact O-N 3.05Å; D595-K599 VanDerWaalsContact OD1-CE 3.31Å; D595-K599 WeakPolarHBondContact OD1-CE 3.49Å; D595-K599 IonicContact OD1-NZ 2.68Å; D595-K599 PolarHBondContact OD1-NZ 3.15Å; D595-K599 WeakPolarHBondContact OD2-CE 3.38Å; D595-K599 IonicContact OD2-NZ 3.58Å; D595-K599 PolarHBondContact OD2-NZ 3.48Å; E596-K599 PolarHBondContact O-N 3.17Å; K599-S603 WeakPolarHBondContact O-CB 3.37Å; K599-S603 PolarHBondContact O-N 3.28Å; K599-S603 PolarHBondContact O-OG 2.76Å
600A67.9Low63.9Low63 Ų6398 Ų9852%0.52153%0.527SS..Hα-helixtrans-63.1-42.8174.200000111.9E596 A597 S603 A604E596-A600 PolarHBondContact O-N 2.99Å; A597-A600 WeakPolarHBondContact O-CB 3.42Å; A597-A600 PolarHBondContact O-N 3.33Å; A600-S603 PolarHBondContact O-N 3.23Å; A600-A604 PolarHBondContact O-N 3.32Å
601S62.7Low62Low59 Ų5997.2 Ų97.241%0.41353%0.533SS..Hα-helixtrans-63.5-47.1175.143.10000113.1A597 K598 S603 A604 E605A597-S601 PolarHBondContact O-N 2.91Å; A597-S601 VanDerWaalsContact O-N 3.08Å; A597-S601 PolarHBondContact O-OG 2.84Å; K598-S601 WeakPolarHBondContact CA-OG 3.16Å; K598-S601 PolarHBondContact O-N 2.78Å; K598-S601 PolarHBondContact O-OG 3.42Å; S601-S603 PolarHBondContact O-N 3.28Å; S601-A604 WeakPolarHBondContact O-CB 3.38Å; S601-A604 PolarHBondContact O-N 3.45Å; S601-E605 PolarHBondContact O-N 3.19Å
602W52.5Low60.1Low177 Ų177101.4 Ų101.467%0.6755%0.548SS*.Hα-helixtrans-63.8-29177.3-68.8-18.6000113.1K598 A604 L606K598-W602 PolarHBondContact O-N 3.35Å; K598-W602 VanDerWaalsContact O-N 3.16Å; W602-A604 VanDerWaalsContact C-N 3.29Å; W602-A604 PolarHBondContact O-N 3.04Å; W602-L606 WeakPolarHBondContact O-CB 3.49Å; W602-L606 PolarHBondContact O-N 3.22Å
603S52.8Low58Low74 Ų74108.1 Ų108.152%0.51757%0.565SS.*Hα-helixtrans-70.9-25175.6-58.70000112.9K599 A600 S601 Q607K599-S603 WeakPolarHBondContact O-CB 3.37Å; K599-S603 PolarHBondContact O-N 3.28Å; K599-S603 PolarHBondContact O-OG 2.76Å; A600-S603 PolarHBondContact O-N 3.23Å; S601-S603 PolarHBondContact O-N 3.28Å; S603-Q607 VanDerWaalsContact O-CG 3.31Å; S603-Q607 WeakPolarHBondContact O-CG 3.49Å
604A51.5Low55.8Low54 Ų54110.7 Ų110.745%0.44658%0.581SS.*Hα-helixtrans-78.5-51.9174.500000111.4A600 S601 W602 L606 Q607 D608A600-A604 PolarHBondContact O-N 3.32Å; S601-A604 WeakPolarHBondContact O-CB 3.38Å; S601-A604 PolarHBondContact O-N 3.45Å; W602-A604 VanDerWaalsContact C-N 3.29Å; W602-A604 PolarHBondContact O-N 3.04Å; A604-L606 PolarHBondContact O-N 2.97Å; A604-L606 VanDerWaalsContact O-N 3.12Å; A604-Q607 WeakPolarHBondContact O-CB 3.49Å; A604-Q607 PolarHBondContact O-N 3.33Å; A604-D608 PolarHBondContact O-N 2.94Å
605E54.2Low53.4Low129 Ų129111.9 Ų111.960%0.60360%0.599SS**Hα-helixtrans-56.2-33.1179.9-67.3178.3115.800112.7S601 S609S601-E605 PolarHBondContact O-N 3.19Å; E605-S609 PolarHBondContact O-N 2.85Å
606L47Very low51.2Low112 Ų112114.4 Ų114.459%0.58662%0.619SS**Hα-helixtrans-71.9-28.3177.8-167.964.3000113.6W602 A604 I610W602-L606 WeakPolarHBondContact O-CB 3.49Å; W602-L606 PolarHBondContact O-N 3.22Å; A604-L606 PolarHBondContact O-N 2.97Å; A604-L606 VanDerWaalsContact O-N 3.12Å; L606-I610 HydrophobicContact CG-CD1 4.26Å; L606-I610 WeakPolarHBondContact O-CD1 3.49Å; L606-I610 VanDerWaalsContact O-CG1 3.29Å; L606-I610 WeakPolarHBondContact O-CG1 3.3Å; L606-I610 PolarHBondContact O-N 3.35Å
607Q47.5Very low48.9Very low139 Ų139115.3 Ų115.365%0.6563%0.633SS**Hα-helixtrans-73.4-43.4177.2-66.2-103.8-22.900111.1S603 A604 S609 I610 T611S603-Q607 VanDerWaalsContact O-CG 3.31Å; S603-Q607 WeakPolarHBondContact O-CG 3.49Å; A604-Q607 WeakPolarHBondContact O-CB 3.49Å; A604-Q607 PolarHBondContact O-N 3.33Å; Q607-S609 VanDerWaalsContact C-N 3.34Å; Q607-S609 PolarHBondContact O-N 2.89Å; Q607-I610 PolarHBondContact O-N 2.97Å; Q607-T611 PolarHBondContact O-N 3.23Å; Q607-T611 PolarHBondContact O-OG1 3.11Å
608D43.7Very low46.8Very low121 Ų121115.9 Ų115.965%0.64765%0.646SS**Hα-helixtrans-61.9-43.7177.7-69.1-22.9000110.7A604 I610 T611A604-D608 PolarHBondContact O-N 2.94Å; D608-I610 VanDerWaalsContact C-N 3.3Å; D608-I610 PolarHBondContact O-N 3.07Å; D608-T611 PolarHBondContact O-N 3.21Å
609S43.6Very low44.4Very low85 Ų85121.7 Ų121.759%0.59467%0.665SS**Hα-helixtrans-65.9-26.2-179.9-171.70000114.5E605 Q607E605-S609 PolarHBondContact O-N 2.85Å; Q607-S609 VanDerWaalsContact C-N 3.34Å; Q607-S609 PolarHBondContact O-N 2.89Å
610I46.5Very low42.1Very low114 Ų114125.4 Ų125.459%0.58569%0.689SS**Hα-helixtrans-80.5-27.4178.2-71.3169000111.6L606 Q607 D608 D612L606-I610 HydrophobicContact CG-CD1 4.26Å; L606-I610 WeakPolarHBondContact O-CD1 3.49Å; L606-I610 VanDerWaalsContact O-CG1 3.29Å; L606-I610 WeakPolarHBondContact O-CG1 3.3Å; L606-I610 PolarHBondContact O-N 3.35Å; Q607-I610 PolarHBondContact O-N 2.97Å; D608-I610 VanDerWaalsContact C-N 3.3Å; D608-I610 PolarHBondContact O-N 3.07Å; I610-D612 PolarHBondContact O-N 3.13Å
611T40.3Very low40.2Very low117 Ų117132 Ų13272%0.71870%0.7SS**Hα-helixtrans-72.3-29.6-174.4-57.30000112.8Q607 D608 R613Q607-T611 PolarHBondContact O-N 3.23Å; Q607-T611 PolarHBondContact O-OG1 3.11Å; D608-T611 PolarHBondContact O-N 3.21Å; T611-R613 PolarHBondContact O-N 3.34Å
612D35.2Very low38.4Very low147 Ų147135.3 Ų135.379%0.78671%0.713SS**THydrogen-bonded Turntrans-85.99.2-171.6-162.144.8000115.2I610I610-D612 PolarHBondContact O-N 3.13Å
613R36.9Very low37.1Very low219 Ų219133.8 Ų133.883%0.82672%0.723SS**THydrogen-bonded Turntrans-132.714.7-169-85.2-165.1170.2-102-5.9119T611T611-R613 PolarHBondContact O-N 3.34Å
614L34.8Very low36Very low162 Ų162136 Ų13685%0.84873%0.733SS**  trans-132.4103175.4-71.6175.5000114.8
615S27.6Very low35Very low118 Ų118138.5 Ų138.583%0.82574%0.744SS**  trans-150.1156.5157.3-97.20000110.6
616P33.6Very low33.5Very low124 Ų124139.7 Ų139.781%0.80576%0.755SS**PPolyproline II helixtrans-100.8145.5-132.3-6.126000115.8G618P616-G618 PolarHBondContact O-N 3.44Å
617V29Very low32.4Very low148 Ų148138.5 Ų138.590%0.89776%0.762SS**PPolyproline II helixtrans-74118.7167.9177.70000110.2
618G27.2Very low31.6Very low74 Ų74138 Ų13876%0.76377%0.77SS**PPolyproline II helixtrans-72126.7175.800000112.9P616P616-G618 PolarHBondContact O-N 3.44Å
619R24.5Very low30.6Very low223 Ų223135.9 Ų135.984%0.84277%0.77SS**PPolyproline II helixtrans-88.6126.6173.1171.4-171.7-83172.7-9.5110.5
620L26.1Very low29.7Very low175 Ų175140.7 Ų140.792%0.91678%0.783SS**PPolyproline II helixtrans-96.6156.4158.2-85.1165.4000110.6
621R26.2Very low28.6Very low202 Ų202140 Ų14076%0.76278%0.784SS**  trans-114.4141.2-175-87.1-166.6177.3160.4-2112.6
622D25.5Very low27.9Very low127 Ų127142.9 Ų142.968%0.67979%0.789SS**  34.3116.6126.2-34.6-37.8000119.4
623V24.5Very low27.4Very low145 Ų145140.1 Ų140.188%0.87979%0.786SS**  trans-132.1134.6136.5179.20000107.5
624V30.2Very low26.7Very low121 Ų121135.6 Ų135.673%0.73378%0.779SS**  trans-127.6145.9177.2177.60000107.8
625P31.9Very low26.2Very low106 Ų106135.5 Ų135.569%0.68877%0.774SS**  -135.513713032.3-19000114.1
626D21.4Very low26Very low154 Ų154134.4 Ų134.482%0.82477%0.766SS**  trans52122.9145.9-54.1-23000122.4
627A24Very low25.6Very low88 Ų88133.7 Ų133.773%0.72776%0.764SS**  trans-91.1173.3151.400000109.9
628P31.4Very low25.3Very low127 Ų127131.7 Ų131.783%0.82576%0.757SS**  -142.4144.591.636-21.2000116.7
629A23.1Very low25.1Very low78 Ų78132.4 Ų132.465%0.64575%0.75SS**  trans2.5137.3153.700000122
630Q24.8Very low25Very low186 Ų186130.6 Ų130.687%0.86975%0.749SS**  -158.4102113.9-99168.827.800107.7
631T22.3Very low24.8Very low100 Ų100127.5 Ų127.561%0.61374%0.741SS**  78.9137.677.755.90000115.8
632H25.6Very low24.8Very low177 Ų177126.7 Ų126.782%0.81974%0.743SS**  trans86.1111.4177.9-52.4-68000115
633A23.9Very low24.6Very low88 Ų88131.5 Ų131.573%0.72775%0.751SS**  87.1144.150.300000111.7
634D22.7Very low24.6Very low125 Ų125131.6 Ų131.667%0.66875%0.746SS**  cis-158.7166.7-1.3-146.3-8.5000111
635Q25.3Very low24.4Very low160 Ų160132.9 Ų132.975%0.74875%0.747SS**  trans61.4162154-70.5163.855.100118.1
636S22.6Very low24.3Very low95 Ų95137.3 Ų137.366%0.66476%0.756SS**  cis-163.2-179.5-24.458.50000109.7
637S26.1Very low24.9Very low108 Ų108135.5 Ų135.576%0.75575%0.753SS**  trans69.7132.9179.979.40000114.4
638S21.6Very low25Very low106 Ų106140.8 Ų140.874%0.74176%0.759SS**  cis69.2137.827127.60000114.3
639S23Very low24.8Very low90 Ų90139.5 Ų139.563%0.62975%0.753SS**  cis-169.6-162.6-3.843.30000109.6
640F22.3Very low25.5Very low185 Ų185140.9 Ų140.981%0.81176%0.755SS**  trans74.490.5169.1-76-84.8000121.7
641C23.1Very low26.1Very low110 Ų110137.8 Ų137.874%0.74375%0.751SS**  25.6148.5109.7-1560000122.6
642K25.3Very low26.2Very low185 Ų185139.3 Ų139.380%0.80476%0.755SS**  trans85.5126.7174.1-53.7173.2-176.1175.40113.8
643R22.6Very low26.4Very low228 Ų228142.8 Ų142.886%0.8676%0.761SS**  cis82.510330.2-161.7-159-168.9-178.35.3114
644L23.9Very low26.3Very low146 Ų146144.9 Ų144.976%0.76476%0.76SS**  trans155146.9135-86.6163.6000116
645I24.6Very low26.4Very low149 Ų149144.8 Ų144.876%0.76477%0.765SS**  trans84.3132.2143.9-72.8161.2000122.3
646F31.3Very low26.4Very low198 Ų198145.1 Ų145.187%0.86877%0.77SS**  trans-86.6154.3166.1-84.5-94000112.3
647P33.5Very low26.6Very low117 Ų117148.2 Ų148.276%0.7678%0.78SS**  -143.3175.4111.221.7-0.4000112.2
648K25.1Very low26.7Very low199 Ų199147.4 Ų147.487%0.86578%0.78SS**  cis174.4165.1-19.3-175.6168.2-179.9176.70105.4
649S28.1Very low26.9Very low100 Ų100152 Ų15270%0.69979%0.789SS**  trans-81.7-163.6-179.263.40000113.2
650P37.7Very low27Very low106 Ų106151.9 Ų151.969%0.68879%0.794SS**  cis-98.9-143.84.946-37.5000111.4
651P38.2Very low27.3Very low121 Ų121152.2 Ų152.279%0.78680%0.797SS**  cis-65.9174.51.6-21.936.5000115.2
652L24.1Very low27.5Very low132 Ų132153.7 Ų153.769%0.69180%0.798SS**  cis90.31077.1-164.678.5000119.1
653W28.7Very low27.5Very low250 Ų250150 Ų15095%0.94780%0.795SS**  trans-152.7129.5133.6-92.6112.3000109.6
654D23.3Very low28.4Very low133 Ų133144.5 Ų144.571%0.71179%0.789SS**  trans-122.7172.8177.8-118.8-43.9000109.9
655T24.5Very low28.6Very low123 Ų123143.7 Ų143.776%0.75580%0.796SS**  trans91.7107.9168.3-36.70000117.2
656L25.6Very low28.6Very low166 Ų166140 Ų14087%0.86979%0.794SS**  -164.5120.6114.9-104.9171.9000110.6
657N25.2Very low28.4Very low161 Ų161137.9 Ų137.986%0.86180%0.798SS**  trans-96143.4170.8-71.1-35000110.2
658A28.2Very low28.1Very low91 Ų91136.2 Ų136.275%0.75280%0.802SS**  trans-15398.2157.100000105.5
659E26.5Very low28.2Very low202 Ų202132.5 Ų132.594%0.94480%0.801SS**  71.8133.189.9-76.3-167.6143.100113.5
660A25.5Very low28.1Very low87 Ų87132.8 Ų132.872%0.71980%0.803SS**  trans-114.5156.9-170.200000111.7
661H28.6Very low27.7Very low192 Ų192132.4 Ų132.489%0.88981%0.809SS**  trans-139.9145.8165.3-85.1-55000110.4
662D26.2Very low27.2Very low141 Ų141133.3 Ų133.375%0.75481%0.806SS**  trans-90.4139.1-161.4-55.2-84.6000115.3
663S27.2Very low27.4Very low108 Ų108135.3 Ų135.376%0.75581%0.811SS**  trans62169.2131.2-70.10000121.5
664P41.3Very low27.4Very low112 Ų112133.6 Ų133.673%0.72781%0.811SS**  cis-132.7161.5-31.233.1-17.6000113.9
665S27Very low27.6Very low130 Ų130132.6 Ų132.691%0.90981%0.814SS**  trans163.9154.4134.2-78.20000112
666G25Very low28.1Very low71 Ų71135 Ų13573%0.73282%0.822SS**  trans119.453.4157.200000118.9
667T27Very low28.4Very low154 Ų154133.8 Ų133.895%0.94582%0.816SS**  trans23.7113.3143.5-46.50000119.5
668G26.6Very low28.8Very low82 Ų82134.7 Ų134.785%0.84582%0.815SS**  trans176.273.5167.700000115.2
669S26.8Very low29Very low121 Ų121140 Ų14085%0.84682%0.824SS**  trans-97.2125.8176.8-178.90000112.2
670S27.1Very low29.4Very low105 Ų105136.7 Ų136.773%0.73482%0.818SS**  -168.2147.9126.855.20000111.2
671A28.3Very low29.8Very low98 Ų98140.1 Ų140.181%0.8182%0.823SS**  trans-119.9129.6169.900000108.7
672I29.5Very low30.1Very low141 Ų141137 Ų13772%0.72382%0.82SS**  trans-142.3103.3175.3-55.6-180000104.1
673Q26.9Very low30.3Very low174 Ų174139.4 Ų139.481%0.81383%0.827SS**  6985.668.2-165.8176.213.300111.8S675Q673-S675 PolarHBondContact O-N 3.11Å
674F28.3Very low30.6Very low213 Ų213142.9 Ų142.993%0.93483%0.833SS**  trans-74.7119.1174.7-67.7-83000111
675S27.7Very low30.2Very low112 Ų112143.2 Ų143.278%0.78384%0.836SS**  trans-97124.8160.153.40000109.1Q673Q673-S675 PolarHBondContact O-N 3.11Å
676L35Very low30.3Very low175 Ų175141.7 Ų141.792%0.91683%0.825SS**  trans-92.7101.9178.6-170.492.4000109.8
677D32.4Very low30.5Very low140 Ų140144.3 Ų144.375%0.74983%0.831SS**  trans-156.5156.8168.7-99.7-46.8000109.6
678H33.3Very low30.4Very low180 Ų180143.8 Ų143.883%0.83382%0.822SS**  trans7668.1179.1-45.8-46.3000117.6
679E33.4Very low30.5Very low201 Ų201144.6 Ų144.694%0.93982%0.815SS**  trans-87.3139.6149.5-67.5-172.5153.200110.3
680T34.8Very low30.7Very low133 Ų133147.5 Ų147.582%0.81682%0.82SS**  trans-130.4130.6175.7-47.20000109.5
681L33.8Very low30.7Very low160 Ų160149.6 Ų149.684%0.83882%0.823SS**PPolyproline II helixtrans-75.6140.3-176.5-65.4170.2000112.3
682P34Very low30.8Very low126 Ų126152 Ų15282%0.81882%0.821SS**PPolyproline II helixtrans-69.6141.9170-18.832.5000113
683E30Very low30.7Very low191 Ų191153.9 Ų153.989%0.89383%0.827SS**PPolyproline II helixtrans-79.1153.9176.6-60.2-18012800112.3
684M33.6Very low30.8Very low181 Ų181153.6 Ų153.689%0.89283%0.831SS**PPolyproline II helixtrans-88.9140.9173.4-59.6-162.8-48.200111.5
685P33.5Very low30.8Very low120 Ų120152.4 Ų152.478%0.77983%0.828SS**PPolyproline II helixtrans-72.7142.9171.630.6-34.2000112
686S28.9Very low30.9Very low97 Ų97152 Ų15268%0.67883%0.832SS**PPolyproline II helixtrans-72.1152.5169.3-174.80000111.7
687C28.6Very low30.6Very low127 Ų127150.1 Ų150.186%0.85883%0.827SS**  trans-14690.8169.1-79.40000109.5
688D24.9Very low30.2Very low142 Ų142147.4 Ų147.476%0.75982%0.824SS**  trans-86.4160166.9-84-52.6000111.6
689S30.5Very low30Very low100 Ų100146.8 Ų146.870%0.69983%0.826SS**  trans61.394.1163.1-61.60000118.9
690L29.9Very low29.6Very low182 Ų182144.2 Ų144.295%0.95383%0.825SS**  trans-138.397.5132.8-78.5-175.6000109.4
691D28.1Very low29.1Very low148 Ų148142.4 Ų142.479%0.79182%0.817SS**  trans-80.9137.2164.7-63.6-65000110
692L28.8Very low28.8Very low150 Ų150143.9 Ų143.979%0.78582%0.82SS**  trans-156.7102.9146.3-90.8-167.3000111.2
693E28Very low28.5Very low179 Ų179146.2 Ų146.284%0.83682%0.82SS**  trans56.4110.9135.5-60.7177.4159.800120.5
694D28.8Very low28.4Very low169 Ų169144.4 Ų144.490%0.90482%0.817SS**  trans-70.7126.1158.8-84.6-52.1000111.1
695E28.7Very low28.2Very low187 Ų187144.6 Ų144.687%0.87482%0.815SS**  trans-108.2107156.3-107.3-160.8161.100110.4
696A29.4Very low27.9Very low104 Ų104147.1 Ų147.186%0.8682%0.817SS**  trans-97.2104.9176.500000111
697V29Very low27.8Very low135 Ų135146.2 Ų146.282%0.81882%0.815SS**  trans-112130.7172.6-176.50000109.6
698A24.3Very low27.6Very low83 Ų83147.3 Ų147.369%0.68681%0.811SS**  trans-130.1139.2-175.600000112.3
699L27.7Very low27.6Very low168 Ų168146.3 Ų146.388%0.8881%0.81SS**  trans57.2110.2159.3-60.2169.9000118.6
700T25.4Very low27.3Very low147 Ų147149.1 Ų149.190%0.90282%0.816SS**  -143.2150.5119.139.50000110.3
701S25.3Very low26.9Very low95 Ų95144.2 Ų144.266%0.66480%0.802SS**  trans-101.6145.2165.351.40000109.3
702E28.2Very low26.8Very low190 Ų190143.1 Ų143.189%0.88881%0.806SS**  trans-134.3146.7153.5-73.4-72.9114.300106.7
703E27.1Very low26.5Very low175 Ų175145.5 Ų145.582%0.81881%0.81SS**  trans-107.6-172.8-176.2-66.1-179.1104.700111.3
704D28.2Very low26.4Very low154 Ų154144 Ų14482%0.82481%0.813SS**  trans101.2148.8148.7-75.2-26.7000123.5
705E28.4Very low26.1Very low184 Ų184145 Ų14586%0.8681%0.81SS**  trans61.9141.9174.5-59.7-160.6175.400120.5
706E26.7Very low25.8Very low174 Ų174143.1 Ų143.181%0.81381%0.805SS**  cis-180165.5-43-112.7-110.2107.800107.1
707A26.6Very low25.5Very low77 Ų77146.9 Ų146.964%0.63680%0.802SS**  trans67.2147.9161.500000117
708L25.7Very low25.2Very low150 Ų150149.2 Ų149.279%0.78580%0.804SS**  cis-143.7135.113.6-92.2-179.8000111.7
709V25.1Very low25.1Very low121 Ų121152.1 Ų152.173%0.73381%0.813SS**  50.7134.2121.3165.60000119.3
710L22.9Very low24.7Very low159 Ų159149 Ų14983%0.83281%0.805SS**  cis-150.3165.66.5-155.272.9000111.8
711A22.6Very low24.5Very low79 Ų79149.5 Ų149.565%0.65380%0.802SS**  trans-70.9163.2172.400000115.7
712S25.4Very low24.4Very low126 Ų126151 Ų15188%0.88181%0.807SS**  trans-144145.1134.252.60000111.2
713K23.2Very low24.1Very low199 Ų199146.5 Ų146.587%0.86580%0.796SS**  trans-112.3142.6-177-65.8170.8178.6167.90109.9
714T24.9Very low24.1Very low147 Ų147143.9 Ų143.990%0.90280%0.795SS**  trans-147.2126.2152.312.30000111.7
715K22.4Very low23.8Very low191 Ų191142.8 Ų142.883%0.8379%0.789SS**  trans-83.6150.6162-63.7174.1174.1178.80108.4
716L22.2Very low23.6Very low147 Ų147145 Ų14577%0.7779%0.791SS**  -168.6131.5115.7-126.865.9000115.4
717K23.6Very low23.5Very low184 Ų184145.8 Ų145.880%0.879%0.791SS**  trans46.4129.4141.1-75.2175.2-178.2-177.80122.4
718Q23.1Very low23.4Very low183 Ų183148.6 Ų148.686%0.85580%0.801SS**  trans-58.4159.1152.2-56.3146.9-64.500112.4
719T21.7Very low23.4Very low145 Ų145146.9 Ų146.989%0.8980%0.801SS**  trans-153162.9145.9-0.40000109.4
720S20.7Very low23.3Very low101 Ų101151.1 Ų151.171%0.70680%0.804SS**  trans-123.3-179.6-164.3-48.10000112.7
721L21.3Very low23.4Very low159 Ų159148 Ų14883%0.83280%0.802SS**  trans77151174.9-49.6127.1000113.5
722T21.9Very low23.4Very low127 Ų127150.6 Ų150.678%0.77980%0.8SS**  cis-148.6164.86.9-24.20000110.3
723S21.9Very low23.5Very low94 Ų94152.2 Ų152.266%0.65780%0.799SS**  trans-77.6174.7159.5600000111.5
724P27.7Very low23.5Very low121 Ų121145.8 Ų145.879%0.78679%0.789SS**  -142.6159.7100.238.9-26.5000115.6
725D21.8Very low23.6Very low130 Ų130150.6 Ų150.670%0.69579%0.791SS**  trans-68.6165.2163.9-57.7-90.7000112.9
726Y24.2Very low23.8Very low232 Ų232149.5 Ų149.591%0.9179%0.793SS**  -157170.4125.7-107.4-67.9000112
727K25.3Very low24Very low189 Ų189147.5 Ų147.582%0.82280%0.798SS**  trans-117160.7-151.6-73177.2178.3172.70116.9
728T24.8Very low24Very low137 Ų137147.6 Ų147.684%0.8480%0.801SS**  trans-51.2145.5171.2-36.20000117.5
729S24.8Very low25.5Very low113 Ų113144 Ų14479%0.7979%0.794SS**  trans-157.1145.2142.749.80000107.2
730R23.2Very low25.6Very low210 Ų210142 Ų14279%0.79279%0.792SS**  cis87.894.118.4-165.7179.4175.9172.7-2.1117.3E732R730-E732 IonicContact CZ-OE1 3.33Å; R730-E732 IonicContact NE-OE1 2.71Å; R730-E732 PolarHBondContact NE-OE1 3.27Å; R730-E732 IonicContact NH2-OE1 2.7Å; R730-E732 PolarHBondContact NH2-OE1 3.05Å
731A23.9Very low25.9Very low94 Ų94141.7 Ų141.778%0.77780%0.795SS**  trans-156.6144.9137.300000106.2
732E24.4Very low26.3Very low134 Ų134139.8 Ų139.863%0.62680%0.796SS**  cis94.915729.8-78.1172.9-131.300116R730R730-E732 IonicContact CZ-OE1 3.33Å; R730-E732 IonicContact NE-OE1 2.71Å; R730-E732 PolarHBondContact NE-OE1 3.27Å; R730-E732 IonicContact NH2-OE1 2.7Å; R730-E732 PolarHBondContact NH2-OE1 3.05Å
733D26.7Very low26.5Very low159 Ų159141.6 Ų141.685%0.8580%0.801SS**  trans70.5146.4-158.4-57.9-27.1000114.8
734G23.8Very low26.7Very low64 Ų64140 Ų14066%0.6680%0.799SS**  cis136.8133.513.100000106.8
735W25.6Very low26.7Very low249 Ų249142.7 Ų142.794%0.94380%0.798SS**  -174.2175.863.2-96.275.6000111.2
736L28.3Very low27Very low168 Ų168146.6 Ų146.688%0.8880%0.803SS**  trans-102.4150.2175.9-74.3157.7000113.2
737A25.4Very low27.1Very low105 Ų105140.8 Ų140.887%0.86879%0.788SS**  trans-168147.8150.400000113.3
738E23.7Very low27.3Very low185 Ų185140.2 Ų140.286%0.86479%0.785SS**  trans-151.5-174.2167.6-147.1-156.7-146.600108.8
739P54.2Low27.4Very low108 Ų108139.2 Ų139.270%0.70178%0.779SS**  -112.8167.9-97.837.6-23.9000116.8
740A24.2Very low27.3Very low102 Ų102142.6 Ų142.684%0.84378%0.779SS**  trans-172.5167.2158.900000111.3
741A27.1Very low27.6Very low95 Ų95138.2 Ų138.279%0.78578%0.781SS**  cis-176.8143.6-37.900000110.7
742S29.1Very low27.7Very low120 Ų120140.2 Ų140.284%0.83978%0.778SS**  trans-173.4125.3160.334.40000109.3
743D26.4Very low27.8Very low165 Ų165141.3 Ų141.388%0.88279%0.788SS**  80.712569.3-166.947000113.2
744G25.3Very low28Very low60 Ų60139 Ų13962%0.61978%0.784SS**  cis171.6-172.9-5.800000113.9
745K28.4Very low29Very low178 Ų178141.1 Ų141.177%0.77479%0.787SS**  trans79.1123.7172.5-68.3174.2179.7162.70121.6
746R28.9Very low29.1Very low211 Ų211136 Ų13680%0.79678%0.778SS**  51.4149117.7-58.6-178.2-163.9172.32.7120.6
747D26.6Very low29Very low111 Ų111133.6 Ų133.659%0.59478%0.775SS**  cis-160169.1-3.1-121.8-58000110.3
748K29.6Very low29.6Very low177 Ų177134.2 Ų134.277%0.7777%0.77SS**  trans1.1155.5145.9-70.2165.2-161.7161.40121
749V25.5Very low29.9Very low115 Ų115131.2 Ų131.270%0.69777%0.767SS**  cis-173.5148.4-9.5118.80000109
750F24Very low28.7Very low184 Ų184130.7 Ų130.781%0.80777%0.772SS**  trans41.6130160.4-77.9-122.2000122
751S27.9Very low29Very low119 Ų119135.4 Ų135.483%0.83277%0.773SS**  -169.4171100.2-138.40000113
752L27Very low29.3Very low135 Ų135138.3 Ų138.371%0.70777%0.77SS**  trans-92.8149.3180-77.968.7000112.2
753D26.5Very low29.3Very low157 Ų157141.3 Ų141.384%0.8477%0.771SS**  -176.2173.199.8-100.6-30.8000113
754S31.1Very low29.5Very low110 Ų110142.8 Ų142.877%0.76977%0.766SS**  trans-119.8175.3-176.2-69.70000110.3
755P44.6Very low29.7Very low110 Ų110145.7 Ų145.771%0.71478%0.777SS**  cis-145.2-153.921.942.6-19.2000116.4
756D26.8Very low29.9Very low142 Ų142144.7 Ų144.776%0.75978%0.779SS**  trans93.495.9157.6-66.3-17.9000122.2
757S27.8Very low30.1Very low117 Ų117140.3 Ų140.382%0.81878%0.778SS**  trans80.7153.2138.8-69.80000120.7
758P36.8Very low30.5Very low117 Ų117141.5 Ų141.576%0.7679%0.789SS**  trans-121.8166.6-148.441.9-30.2000115.8
759P29.5Very low30.6Very low122 Ų122140.8 Ų140.879%0.79279%0.793SS**  trans-110.9136.8155.235.3-26.2000113.3
760A29.8Very low31Very low98 Ų98142 Ų14281%0.8179%0.794SS**  trans30.2123.9153.400000121.1
761K30.9Very low31.4Very low201 Ų201138.8 Ų138.887%0.87479%0.79SS**  trans-60.8136.8159.4-61.9175.6-178.1176.30109.8
762Q32.8Very low31.8Very low155 Ų155142.6 Ų142.672%0.72479%0.792SS**  trans-92.5112.5171.2-168.5167.133.900109.4
763E28.5Very low32Very low184 Ų184140 Ų14086%0.8679%0.785SS**  trans-78.3126.9179.1-65.4-179.2162.400110.7
764Y30.5Very low32.6Very low196 Ų196139 Ų13977%0.76979%0.787SS**  trans-98109.3174.7-71.5-81.6000109.8
765S31.3Very low32.9Very low121 Ų121140.1 Ų140.185%0.84678%0.783SS**PPolyproline II helixtrans-72.7137.5175.448.30000111.9
766L32.1Very low32.5Very low156 Ų156140.9 Ų140.982%0.81778%0.781SS**PPolyproline II helixtrans-78.8151.1170.4-71.5173.1000110.6
767P33Very low33Very low120 Ų120142 Ų14278%0.77979%0.787SS**PPolyproline II helixtrans-66.8135.6-177.327.2-35000112.1L769P767-L769 PolarHBondContact O-N 3.08Å
768T34.8Very low33.7Very low135 Ų135144.4 Ų144.483%0.82879%0.787SS**PPolyproline II helixtrans-64127.4-175.1-300000112.4
769L32Very low33.7Very low163 Ų163148 Ų14885%0.85379%0.791SS**PPolyproline II helixtrans-71.7131166-82164.1000109.7P767 T771P767-L769 PolarHBondContact O-N 3.08Å; L769-T771 PolarHBondContact O-N 3Å
770I32.4Very low34Very low139 Ų139152.2 Ų152.271%0.71382%0.821SS**  trans-84110.3179.5-58.9173.6000109.1F772I770-F772 HydrophobicContact CG2-CD2 4.14Å; I770-F772 HydrophobicContact CG2-CE2 3.76Å; I770-F772 HydrophobicContact CG2-CZ 4.16Å
771T32.7Very low34.2Very low118 Ų118155 Ų15572%0.72482%0.822SS**  trans-88.3145.3163.746.30000110.1L769L769-T771 PolarHBondContact O-N 3Å
772F37Very low34.4Very low199 Ų199152.5 Ų152.587%0.87382%0.819SS**  trans-110.289.4173.9-77.9-90.2000109.6I770I770-F772 HydrophobicContact CG2-CD2 4.14Å; I770-F772 HydrophobicContact CG2-CE2 3.76Å; I770-F772 HydrophobicContact CG2-CZ 4.16Å
773S30.8Very low34.4Very low79 Ų79152.4 Ų152.455%0.55282%0.824SS**  trans-128.1130.5171-82.20000109.9I775S773-I775 VanDerWaalsContact C-N 3.28Å; S773-I775 PolarHBondContact O-N 2.94Å
774P39.4Very low34.8Very low138 Ų138150.5 Ų150.590%0.89682%0.822SS**SBendtrans-80.812.1-174.7-16.432.6000116.6
775I36.8Very low35.1Very low133 Ų133147.7 Ų147.768%0.68283%0.826SS**  trans-114.3-21.6-154.3-77.6172.9000115.3S773 D777S773-I775 VanDerWaalsContact C-N 3.28Å; S773-I775 PolarHBondContact O-N 2.94Å; I775-D777 PolarHBondContact O-N 3.48Å
776D36.8Very low35.3Very low126 Ų126149.5 Ų149.567%0.67482%0.824SS**SBendtrans-80.6-20.8-161.7-65-58.2000116.1M778D776-M778 PolarHBondContact O-N 3.26Å
777D37.5Very low35.5Very low166 Ų166149 Ų14989%0.88883%0.825SS**  trans-82.142.1-178.9-76.9-22.4000113.3I775I775-D777 PolarHBondContact O-N 3.48Å
778M42Very low35.7Very low167 Ų167151.2 Ų151.282%0.82383%0.828SS**  trans-116.356.2-178.6-107-68.3-6800112.4D776D776-M778 PolarHBondContact O-N 3.26Å
779K37.2Very low35.8Very low191 Ų191152.6 Ų152.683%0.8383%0.828SS**  trans-141115.9173.6-70.7-173.3180170.30113.8
780C35.3Very low36.2Very low212 Ų212151.6 Ų151.6100%1.43283%0.826SS**  trans59.40163.2-60.20000116.5

Retrieved 780 of 780 residues in 458.2 ms (Link to these results)

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